Indoles and derivatives

Aromatic bicyclic organic compounds that consists of a benzene ring fused to a pyrrole ring with formula: C₈H₇N.

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4-Nitrophenyl octanoate, 96%

CAS: 1956-10-1 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.31 MDL Number: MFCD00024665 InChI Key: GGIDEJQGAZSTES-UHFFFAOYSA-N

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CAS	1956-10-1
Molecular Weight (g/mol)	265.31
MDL Number	MFCD00024665
InChI Key	GGIDEJQGAZSTES-UHFFFAOYSA-N
Molecular Formula	C14H19NO4

9-(4-Bromophenyl)carbazole, 98%, Thermo Scientific Chemicals

CAS: 57102-42-8 Molecular Formula: C18H12BrN Molecular Weight (g/mol): 322.205 MDL Number: MFCD11617969 InChI Key: XSDKKRKTDZMKCH-UHFFFAOYSA-N Synonym: 9-4-bromophenyl-9h-carbazole,9-4-bromophenyl carbazole,9-4-bromo-phenyl-9h-carbazole,9h-carbazole, 9-4-bromophenyl,acmc-209lw0,n-4-bromophenyl carbazole,amth018 PubChem CID: 22361390 IUPAC Name: 9-(4-bromophenyl)carbazole SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)Br

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Specifications

PubChem CID	22361390
CAS	57102-42-8
Molecular Weight (g/mol)	322.205
MDL Number	MFCD11617969
SMILES	C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)Br
Synonym	9-4-bromophenyl-9h-carbazole,9-4-bromophenyl carbazole,9-4-bromo-phenyl-9h-carbazole,9h-carbazole, 9-4-bromophenyl,acmc-209lw0,n-4-bromophenyl carbazole,amth018
IUPAC Name	9-(4-bromophenyl)carbazole
InChI Key	XSDKKRKTDZMKCH-UHFFFAOYSA-N
Molecular Formula	C18H12BrN

5-Hydroxyindole-3-acetic acid, 98%

CAS: 54-16-0 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD00005639 InChI Key: DUUGKQCEGZLZNO-UHFFFAOYSA-N Synonym: 5-hydroxyindole-3-acetic acid,5-hiaa,2-5-hydroxy-1h-indol-3-yl acetic acid,5-hydroxyindoleacetic acid,5-hydroxyheteroauxin,5-hydroxy-1h-indol-3-yl acetic acid,5-oxyindoleacetic acid,hydroxyindoleacetic acid,5-hydroxy-iaa,5-hydroxyindol-3-ylacetic acid PubChem CID: 1826 ChEBI: CHEBI:27823 IUPAC Name: 2-(5-hydroxy-1H-indol-3-yl)acetic acid SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O

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PubChem CID	1826
CAS	54-16-0
Molecular Weight (g/mol)	191.186
ChEBI	CHEBI:27823
MDL Number	MFCD00005639
SMILES	C1=CC2=C(C=C1O)C(=CN2)CC(=O)O
Synonym	5-hydroxyindole-3-acetic acid,5-hiaa,2-5-hydroxy-1h-indol-3-yl acetic acid,5-hydroxyindoleacetic acid,5-hydroxyheteroauxin,5-hydroxy-1h-indol-3-yl acetic acid,5-oxyindoleacetic acid,hydroxyindoleacetic acid,5-hydroxy-iaa,5-hydroxyindol-3-ylacetic acid
IUPAC Name	2-(5-hydroxy-1H-indol-3-yl)acetic acid
InChI Key	DUUGKQCEGZLZNO-UHFFFAOYSA-N
Molecular Formula	C10H9NO3

9-Vinylcarbazole, 98+%

CAS: 1484-13-5 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.25 MDL Number: MFCD00004966,MFCD00134336 InChI Key: KKFHAJHLJHVUDM-UHFFFAOYSA-N Synonym: 9-vinylcarbazole,n-vinylcarbazole,9-vinyl-9h-carbazole,9h-carbazole, 9-ethenyl,n-vinyl carbazole,vinylcarbazole,1-vinylcarbazole,poly 9-vinylcarbazole,carbazole, 9-vinyl,poly-n-vinylcarbazole PubChem CID: 15143 IUPAC Name: 9-ethenylcarbazole SMILES: C=CN1C2=C(C=CC=C2)C2=C1C=CC=C2

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Specifications

PubChem CID	15143
CAS	1484-13-5
Molecular Weight (g/mol)	193.25
MDL Number	MFCD00004966,MFCD00134336
SMILES	C=CN1C2=C(C=CC=C2)C2=C1C=CC=C2
Synonym	9-vinylcarbazole,n-vinylcarbazole,9-vinyl-9h-carbazole,9h-carbazole, 9-ethenyl,n-vinyl carbazole,vinylcarbazole,1-vinylcarbazole,poly 9-vinylcarbazole,carbazole, 9-vinyl,poly-n-vinylcarbazole
IUPAC Name	9-ethenylcarbazole
InChI Key	KKFHAJHLJHVUDM-UHFFFAOYSA-N
Molecular Formula	C14H11N

Tryptophol, 97%

CAS: 526-55-6 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.20 MDL Number: MFCD00005659 InChI Key: MBBOMCVGYCRMEA-UHFFFAOYSA-N Synonym: tryptophol,3-2-hydroxyethyl indole,indole-3-ethanol,1h-indole-3-ethanol,2-1h-indol-3-yl ethanol,3-indoleethanol,indoleethanol,3-indolylethanol,indole ethanol,2-3-indolyl ethanol PubChem CID: 10685 ChEBI: CHEBI:17890 IUPAC Name: 2-(1H-indol-3-yl)ethanol SMILES: OCCC1=CNC2=CC=CC=C12

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Specifications

PubChem CID	10685
CAS	526-55-6
Molecular Weight (g/mol)	161.20
ChEBI	CHEBI:17890
MDL Number	MFCD00005659
SMILES	OCCC1=CNC2=CC=CC=C12
Synonym	tryptophol,3-2-hydroxyethyl indole,indole-3-ethanol,1h-indole-3-ethanol,2-1h-indol-3-yl ethanol,3-indoleethanol,indoleethanol,3-indolylethanol,indole ethanol,2-3-indolyl ethanol
IUPAC Name	2-(1H-indol-3-yl)ethanol
InChI Key	MBBOMCVGYCRMEA-UHFFFAOYSA-N
Molecular Formula	C10H11NO

Indomethacin, 99+%

CAS: 53-86-1 Molecular Formula: C19H16ClNO4 Molecular Weight (g/mol): 357.79 MDL Number: MFCD00057095 InChI Key: CGIGDMFJXJATDK-UHFFFAOYSA-N Synonym: indomethacin,indometacin,indocin,indometacine,indomethacine,indocid,metindol,amuno,indomethazine,imbrilon PubChem CID: 3715 ChEBI: CHEBI:49662 IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O

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Specifications

PubChem CID	3715
CAS	53-86-1
Molecular Weight (g/mol)	357.79
ChEBI	CHEBI:49662
MDL Number	MFCD00057095
SMILES	CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
Synonym	indomethacin,indometacin,indocin,indometacine,indomethacine,indocid,metindol,amuno,indomethazine,imbrilon
IUPAC Name	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
InChI Key	CGIGDMFJXJATDK-UHFFFAOYSA-N
Molecular Formula	C19H16ClNO4

3-Indolemethanol, 97%

CAS: 700-06-1 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00005632 InChI Key: IVYPNXXAYMYVSP-UHFFFAOYSA-N Synonym: indole-3-carbinol,3-indolemethanol,1h-indol-3-yl methanol,indole-3-methanol,1h-indole-3-methanol,3-hydroxymethylindole,3-indolylcarbinol,indinol,3-indole methanol,indole 3 carbinol PubChem CID: 3712 ChEBI: CHEBI:24814 IUPAC Name: 1H-indol-3-ylmethanol SMILES: C1=CC=C2C(=C1)C(=CN2)CO

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Specifications

PubChem CID	3712
CAS	700-06-1
Molecular Weight (g/mol)	147.177
ChEBI	CHEBI:24814
MDL Number	MFCD00005632
SMILES	C1=CC=C2C(=C1)C(=CN2)CO
Synonym	indole-3-carbinol,3-indolemethanol,1h-indol-3-yl methanol,indole-3-methanol,1h-indole-3-methanol,3-hydroxymethylindole,3-indolylcarbinol,indinol,3-indole methanol,indole 3 carbinol
IUPAC Name	1H-indol-3-ylmethanol
InChI Key	IVYPNXXAYMYVSP-UHFFFAOYSA-N
Molecular Formula	C9H9NO

2-(3-Chloro-4-fluorophenyl)indole, 98%

CAS: 1868-88-8 Molecular Formula: C14H9ClFN Molecular Weight (g/mol): 245.681 MDL Number: MFCD00068179 InChI Key: QNYJRNHACDLRSI-UHFFFAOYSA-N PubChem CID: 2736577 IUPAC Name: 2-(3-chloro-4-fluorophenyl)-1H-indole SMILES: C1=CC=C2C(=C1)C=C(N2)C3=CC(=C(C=C3)F)Cl

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Specifications

PubChem CID	2736577
CAS	1868-88-8
Molecular Weight (g/mol)	245.681
MDL Number	MFCD00068179
SMILES	C1=CC=C2C(=C1)C=C(N2)C3=CC(=C(C=C3)F)Cl
IUPAC Name	2-(3-chloro-4-fluorophenyl)-1H-indole
InChI Key	QNYJRNHACDLRSI-UHFFFAOYSA-N
Molecular Formula	C14H9ClFN

Thermo Scientific Chemicals Rizatriptan benzoate

CAS: 145202-66-0 Molecular Formula: C22H25N5O2 Molecular Weight (g/mol): 391.48 InChI Key: JPRXYLQNJJVCMZ-UHFFFAOYSA-N IUPAC Name: benzoic acid; dimethyl(2-{5-[(1H-1,2,4-triazol-1-yl)methyl]-1H-indol-3-yl}ethyl)amine SMILES: OC(=O)C1=CC=CC=C1.CN(C)CCC1=CNC2=CC=C(CN3C=NC=N3)C=C12

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Specifications

CAS	145202-66-0
Molecular Weight (g/mol)	391.48
SMILES	OC(=O)C1=CC=CC=C1.CN(C)CCC1=CNC2=CC=C(CN3C=NC=N3)C=C12
IUPAC Name	benzoic acid; dimethyl(2-{5-[(1H-1,2,4-triazol-1-yl)methyl]-1H-indol-3-yl}ethyl)amine
InChI Key	JPRXYLQNJJVCMZ-UHFFFAOYSA-N
Molecular Formula	C22H25N5O2

Tryptamine, 98%

CAS: 61-54-1 Molecular Formula: C10H12N2 Molecular Weight (g/mol): 160.22 MDL Number: MFCD00005661 InChI Key: APJYDQYYACXCRM-UHFFFAOYSA-N Synonym: tryptamine,2-1h-indol-3-yl ethanamine,3-2-aminoethyl indole,1h-indole-3-ethanamine,2-3-indolyl ethylamine,indol-3-ethylamine,indole, 3-2-aminoethyl,2-indol-3-yl ethylamine,2-1h-indol-3-yl ethan-1-amine,tryptamin PubChem CID: 1150 ChEBI: CHEBI:16765 IUPAC Name: 2-(1H-indol-3-yl)ethanamine SMILES: NCCC1=CNC2=CC=CC=C12

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Specifications

PubChem CID	1150
CAS	61-54-1
Molecular Weight (g/mol)	160.22
ChEBI	CHEBI:16765
MDL Number	MFCD00005661
SMILES	NCCC1=CNC2=CC=CC=C12
Synonym	tryptamine,2-1h-indol-3-yl ethanamine,3-2-aminoethyl indole,1h-indole-3-ethanamine,2-3-indolyl ethylamine,indol-3-ethylamine,indole, 3-2-aminoethyl,2-indol-3-yl ethylamine,2-1h-indol-3-yl ethan-1-amine,tryptamin
IUPAC Name	2-(1H-indol-3-yl)ethanamine
InChI Key	APJYDQYYACXCRM-UHFFFAOYSA-N
Molecular Formula	C10H12N2

N-Ethyl-3-carbazolecarboxaldehyde, 94%, Tech.

CAS: 7570-45-8 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.28 MDL Number: MFCD00004963 InChI Key: QGJXVBICNCIWEL-UHFFFAOYSA-N Synonym: 9-ethyl-9h-carbazole-3-carbaldehyde,n-ethyl-3-carbazolecarboxaldehyde,n-ethylcarbazole-3-carboxaldehyde,3-formyl-n-ethylcarbazole,n-ethylcarbazole-3-carbaldehyde,9-ethyl-3-carbazolecarboxaldehyde,ccris 9052,n-ethyl carbazole-3-aldehyde,n-ethyl-carbazole-3-aldehyde,pubchem9556 PubChem CID: 82055 IUPAC Name: 9-ethylcarbazole-3-carbaldehyde SMILES: CCN1C2=C(C=CC=C2)C2=C1C=CC(C=O)=C2

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Specifications

PubChem CID	82055
CAS	7570-45-8
Molecular Weight (g/mol)	223.28
MDL Number	MFCD00004963
SMILES	CCN1C2=C(C=CC=C2)C2=C1C=CC(C=O)=C2
Synonym	9-ethyl-9h-carbazole-3-carbaldehyde,n-ethyl-3-carbazolecarboxaldehyde,n-ethylcarbazole-3-carboxaldehyde,3-formyl-n-ethylcarbazole,n-ethylcarbazole-3-carbaldehyde,9-ethyl-3-carbazolecarboxaldehyde,ccris 9052,n-ethyl carbazole-3-aldehyde,n-ethyl-carbazole-3-aldehyde,pubchem9556
IUPAC Name	9-ethylcarbazole-3-carbaldehyde
InChI Key	QGJXVBICNCIWEL-UHFFFAOYSA-N
Molecular Formula	C15H13NO

1-Boc-indole-2-boronic acid, 95%

CAS: 213318-44-6 Molecular Formula: C13H16BNO4 Molecular Weight (g/mol): 261.084 MDL Number: MFCD02093045 InChI Key: SVIBPSNFXYUOFT-UHFFFAOYSA-N Synonym: n-boc-indole-2-boronic acid,1-boc-indole-2-boronic acid,1-tert-butoxycarbonyl indole-2-boronic acid,1-tert-butoxycarbonyl-1h-indol-2-ylboronic acid,1-tert-butoxycarbonyl-1h-indol-2-yl boronic acid,1-n-boc-indole-2-boronic acid,1-tert-butoxycarbonyl-1h-indol-2-yl-2-boronic acid,1-tert-butoxycarbonyl indol-2-ylboronic acid,1-boc-2-indoleboronic acid,n-boc-indol-2-yl boronic acid PubChem CID: 2773302 IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid SMILES: B(C1=CC2=CC=CC=C2N1C(=O)OC(C)(C)C)(O)O

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Specifications

PubChem CID	2773302
CAS	213318-44-6
Molecular Weight (g/mol)	261.084
MDL Number	MFCD02093045
SMILES	B(C1=CC2=CC=CC=C2N1C(=O)OC(C)(C)C)(O)O
Synonym	n-boc-indole-2-boronic acid,1-boc-indole-2-boronic acid,1-tert-butoxycarbonyl indole-2-boronic acid,1-tert-butoxycarbonyl-1h-indol-2-ylboronic acid,1-tert-butoxycarbonyl-1h-indol-2-yl boronic acid,1-n-boc-indole-2-boronic acid,1-tert-butoxycarbonyl-1h-indol-2-yl-2-boronic acid,1-tert-butoxycarbonyl indol-2-ylboronic acid,1-boc-2-indoleboronic acid,n-boc-indol-2-yl boronic acid
IUPAC Name	[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI Key	SVIBPSNFXYUOFT-UHFFFAOYSA-N
Molecular Formula	C13H16BNO4

7-Bromo-1-methyl-1H-indole, 97%, Thermo Scientific™

CAS: 280752-68-3 Molecular Formula: C9H8BrN Molecular Weight (g/mol): 210.07 MDL Number: MFCD09879960 InChI Key: CALOMHQMSHLUJX-UHFFFAOYSA-N Synonym: 7-bromo-1-methyl-1h-indole,1h-indole,7-bromo-1-methyl,1h-indole, 7-bromo-1-methyl,1-methyl-7-bromoindole,1-methyl-7-bromo-1h-indole PubChem CID: 21950069 IUPAC Name: 7-bromo-1-methylindole SMILES: CN1C=CC2=CC=CC(Br)=C12

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Specifications

PubChem CID	21950069
CAS	280752-68-3
Molecular Weight (g/mol)	210.07
MDL Number	MFCD09879960
SMILES	CN1C=CC2=CC=CC(Br)=C12
Synonym	7-bromo-1-methyl-1h-indole,1h-indole,7-bromo-1-methyl,1h-indole, 7-bromo-1-methyl,1-methyl-7-bromoindole,1-methyl-7-bromo-1h-indole
IUPAC Name	7-bromo-1-methylindole
InChI Key	CALOMHQMSHLUJX-UHFFFAOYSA-N
Molecular Formula	C9H8BrN

Tetrahydro-beta-carboline, 98%

CAS: 16502-01-5 Molecular Formula: C11H13ClN2 Molecular Weight (g/mol): 208.69 MDL Number: MFCD00004954 InChI Key: PHLJRXUBLWEPCM-UHFFFAOYSA-N Synonym: tryptoline,2,3,4,9-tetrahydro-1h-pyrido 3,4-b indole,noreleagnine,1,2,3,4-tetrahydro-9h-pyrido 3,4-b indole,1,2,3,4-tetrahydro-beta-carboline,tetrahydro-beta-carboline,thbc,tetrahydronorharman,unii-65027tmi0h,1h,2h,3h,4h,9h-pyrido 3,4-b indole PubChem CID: 107838 IUPAC Name: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole SMILES: [H+].[Cl-].C1CC2=C(CN1)NC1=CC=CC=C21

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Specifications

PubChem CID	107838
CAS	16502-01-5
Molecular Weight (g/mol)	208.69
MDL Number	MFCD00004954
SMILES	[H+].[Cl-].C1CC2=C(CN1)NC1=CC=CC=C21
Synonym	tryptoline,2,3,4,9-tetrahydro-1h-pyrido 3,4-b indole,noreleagnine,1,2,3,4-tetrahydro-9h-pyrido 3,4-b indole,1,2,3,4-tetrahydro-beta-carboline,tetrahydro-beta-carboline,thbc,tetrahydronorharman,unii-65027tmi0h,1h,2h,3h,4h,9h-pyrido 3,4-b indole
IUPAC Name	2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
InChI Key	PHLJRXUBLWEPCM-UHFFFAOYSA-N
Molecular Formula	C11H13ClN2

4-Hydroxycarbazole, 98+%

CAS: 52602-39-8 Molecular Formula: C₁₂H₉NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD02178385 InChI Key: UEOHATPGKDSULR-UHFFFAOYSA-N Synonym: 4-hydroxycarbazole,4-hydroxy carbazole,ccris 5300,chembl46723,4-hydroxycarbazol,4-hydroxy-carbazole,pubchem9190,4-hydroxy-9h-carbazole,acmc-209l0g PubChem CID: 104251 IUPAC Name: 9H-carbazol-4-ol SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC=C3O

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Specifications

PubChem CID	104251
CAS	52602-39-8
Molecular Weight (g/mol)	183.21
MDL Number	MFCD02178385
SMILES	C1=CC=C2C(=C1)C3=C(N2)C=CC=C3O
Synonym	4-hydroxycarbazole,4-hydroxy carbazole,ccris 5300,chembl46723,4-hydroxycarbazol,4-hydroxy-carbazole,pubchem9190,4-hydroxy-9h-carbazole,acmc-209l0g
IUPAC Name	9H-carbazol-4-ol
InChI Key	UEOHATPGKDSULR-UHFFFAOYSA-N
Molecular Formula	C₁₂H₉NO

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