Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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Kerosene (Odorless), Fisher Chemical™

CAS: 64742-47-8 MDL Number: MFCD00135561

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CAS	64742-47-8
MDL Number	MFCD00135561

Pepstatin A, Fisher BioReagents

CAS: 26305-03-3 Molecular Formula: C34H63N5O9 Molecular Weight (g/mol): 685.904 InChI Key: FAXGPCHRFPCXOO-WQILDUGRSA-N Synonym: pepstatin a PubChem CID: 131801262 IUPAC Name: (3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid SMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O

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PubChem CID	131801262
CAS	26305-03-3
Molecular Weight (g/mol)	685.904
SMILES	CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
Synonym	pepstatin a
IUPAC Name	(3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
InChI Key	FAXGPCHRFPCXOO-WQILDUGRSA-N
Molecular Formula	C34H63N5O9

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Guanidine Thiocyanate (White Crystalline Powder), Fisher BioReagents™

CAS: 593-84-0 Molecular Formula: C₂H₆N₄S Synonym: Guanidinium Isothiocyanate

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Specifications

CAS	593-84-0
Synonym	Guanidinium Isothiocyanate
Molecular Formula	C₂H₆N₄S

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D-Galactose (White to Off-white Powder), Fisher BioReagents

CAS: 59-23-4 Molecular Formula: C₆H₁₂O₆

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Specifications

CAS	59-23-4
Molecular Formula	C₆H₁₂O₆

Quinidine sulfate dihydrate, 98+%

CAS: 6591-63-5 Molecular Formula: C40H54N4O10S Molecular Weight (g/mol): 782.95 MDL Number: MFCD00149346 InChI Key: ZHNFLHYOFXQIOW-CMZPEELOSA-N Synonym: bis s-6-methoxyquinolin-4-yl 1s,2s,4s,5r-5-vinylquinuclidin-2-yl methanol sulfate dihydrate PubChem CID: 132274356 IUPAC Name: (S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)O

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Specifications

PubChem CID	132274356
CAS	6591-63-5
Molecular Weight (g/mol)	782.95
MDL Number	MFCD00149346
SMILES	COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)O
Synonym	bis s-6-methoxyquinolin-4-yl 1s,2s,4s,5r-5-vinylquinuclidin-2-yl methanol sulfate dihydrate
IUPAC Name	(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate
InChI Key	ZHNFLHYOFXQIOW-CMZPEELOSA-N
Molecular Formula	C40H54N4O10S

Cyclopamine, 99%

CAS: 4449-51-8 Molecular Formula: C27H41NO2 Molecular Weight (g/mol): 411.63 MDL Number: MFCD01735266 InChI Key: QASFUMOKHFSJGL-LAFRSMQTSA-N Synonym: cyclopamine,3b,23b-17,23-epoxy-11-deoxoveratraman-3-ol PubChem CID: 122130428 SMILES: C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C

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Specifications

PubChem CID	122130428
CAS	4449-51-8
Molecular Weight (g/mol)	411.63
MDL Number	MFCD01735266
SMILES	C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C
Synonym	cyclopamine,3b,23b-17,23-epoxy-11-deoxoveratraman-3-ol
InChI Key	QASFUMOKHFSJGL-LAFRSMQTSA-N
Molecular Formula	C27H41NO2

Dimethyl aminomalonate hydrochloride, 97%

CAS: 16115-80-3 Molecular Formula: C5H10ClNO4 Molecular Weight (g/mol): 183.59 MDL Number: MFCD00038880 InChI Key: QWNDKNJSEWOEDM-UHFFFAOYSA-N Synonym: dimethyl 2-aminomalonate hydrochloride,dimethyl aminomalonate hydrochloride,dimethyl aminomalonate hcl,aminomalonic acid dimethyl ester hydrochloride,1,3-dimethyl 2-aminopropanedioate hydrochloride,dimethyl 2-aminopropanedioate hydrochloride,acmc-1bp9z,2-amino-malonic acid dimethyl ester hydrochloride,2-aminomalonic acid dimethyl ester hydrochloride PubChem CID: 2734846 IUPAC Name: dimethyl 2-aminopropanedioate;hydrochloride SMILES: [H+].[Cl-].COC(=O)C(N)C(=O)OC

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Specifications

PubChem CID	2734846
CAS	16115-80-3
Molecular Weight (g/mol)	183.59
MDL Number	MFCD00038880
SMILES	[H+].[Cl-].COC(=O)C(N)C(=O)OC
Synonym	dimethyl 2-aminomalonate hydrochloride,dimethyl aminomalonate hydrochloride,dimethyl aminomalonate hcl,aminomalonic acid dimethyl ester hydrochloride,1,3-dimethyl 2-aminopropanedioate hydrochloride,dimethyl 2-aminopropanedioate hydrochloride,acmc-1bp9z,2-amino-malonic acid dimethyl ester hydrochloride,2-aminomalonic acid dimethyl ester hydrochloride
IUPAC Name	dimethyl 2-aminopropanedioate;hydrochloride
InChI Key	QWNDKNJSEWOEDM-UHFFFAOYSA-N
Molecular Formula	C5H10ClNO4

chloro(1,5-hexadiene)rhodium(I) dimer, Thermo Scientific™

CAS: 32965-49-4 Molecular Formula: C₁₂H₂₀Cl₂Rh₂ Molecular Weight (g/mol): 441.02 MDL Number: MFCD00064595

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Specifications

CAS	32965-49-4
Molecular Weight (g/mol)	441.02
MDL Number	MFCD00064595
Molecular Formula	C₁₂H₂₀Cl₂Rh₂

Cyclobutanone, 98%, stab. with ca 0.1% BHT

CAS: 1191-95-3 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00001332 InChI Key: SHQSVMDWKBRBGB-UHFFFAOYSA-N Synonym: unii-6pf2sh405u,cyclobutyloxy,cyclobutanone, 98+%,cyclobutanon,cylcobutanone,cylobutanone,3-cyclobutanone,1-oxocyclobutane,cyclobutanone,pubchem9021 PubChem CID: 14496 IUPAC Name: cyclobutanone SMILES: O=C1CCC1

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PubChem CID	14496
CAS	1191-95-3
Molecular Weight (g/mol)	70.09
MDL Number	MFCD00001332
SMILES	O=C1CCC1
Synonym	unii-6pf2sh405u,cyclobutyloxy,cyclobutanone, 98+%,cyclobutanon,cylcobutanone,cylobutanone,3-cyclobutanone,1-oxocyclobutane,cyclobutanone,pubchem9021
IUPAC Name	cyclobutanone
InChI Key	SHQSVMDWKBRBGB-UHFFFAOYSA-N
Molecular Formula	C4H6O

2-Chloro-5-(methylcarbamoyl)benzeneboronic acid, 97%

CAS: 2096338-17-7 Molecular Formula: C8H9BClNO3 Molecular Weight (g/mol): 213.42 MDL Number: MFCD22125158 InChI Key: YTEOTIIPHSQWBH-UHFFFAOYSA-N Synonym: 2-chloro-5-methylcarbamoyl benzeneboronic acid,2-chloro-5-methylcarbamoyl phenylboronic acid PubChem CID: 73996153

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Specifications

PubChem CID	73996153
CAS	2096338-17-7
Molecular Weight (g/mol)	213.42
MDL Number	MFCD22125158
Synonym	2-chloro-5-methylcarbamoyl benzeneboronic acid,2-chloro-5-methylcarbamoyl phenylboronic acid
InChI Key	YTEOTIIPHSQWBH-UHFFFAOYSA-N
Molecular Formula	C8H9BClNO3

N-Boc-D-proline, 98+%

CAS: 37784-17-1 Molecular Formula: C10H17NO4 Molecular Weight (g/mol): 215.249 MDL Number: MFCD00063226 InChI Key: ZQEBQGAAWMOMAI-SSDOTTSWSA-N Synonym: n-boc-d-proline,boc-d-proline,boc-d-pro-oh,r-1-tert-butoxycarbonyl pyrrolidine-2-carboxylic acid,n-tert-butoxycarbonyl-d-proline,2r-1-tert-butoxy carbonyl pyrrolidine-2-carboxylic acid,n-t-boc-d-proline,boc-d-pro,n-alpha-t-boc-d-proline,1-tert-butoxycarbonyl-d-proline PubChem CID: 688022 IUPAC Name: (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCCC1C(=O)O

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Specifications

PubChem CID	688022
CAS	37784-17-1
Molecular Weight (g/mol)	215.249
MDL Number	MFCD00063226
SMILES	CC(C)(C)OC(=O)N1CCCC1C(=O)O
Synonym	n-boc-d-proline,boc-d-proline,boc-d-pro-oh,r-1-tert-butoxycarbonyl pyrrolidine-2-carboxylic acid,n-tert-butoxycarbonyl-d-proline,2r-1-tert-butoxy carbonyl pyrrolidine-2-carboxylic acid,n-t-boc-d-proline,boc-d-pro,n-alpha-t-boc-d-proline,1-tert-butoxycarbonyl-d-proline
IUPAC Name	(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI Key	ZQEBQGAAWMOMAI-SSDOTTSWSA-N
Molecular Formula	C10H17NO4

Aniline sulfate, 97%

CAS: 542-16-5 Molecular Formula: (C₆H₅NH₂)₂·H₂SO₄ MDL Number: MFCD00013110 Synonym: Benzenamine sulfate 2:1

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CAS	542-16-5
MDL Number	MFCD00013110
Synonym	Benzenamine sulfate 2:1
Molecular Formula	(C₆H₅NH₂)₂·H₂SO₄

N-Boc-glycine tert-butyl ester, 95%, Thermo Scientific Chemicals

CAS: 111652-20-1 Molecular Formula: C11H21NO4 Molecular Weight (g/mol): 231.29 MDL Number: MFCD00191866 InChI Key: ZDKFMHKWZATBMR-UHFFFAOYSA-N Synonym: boc-gly-otbu,tert-butyl 2-tert-butoxycarbonyl amino acetate,boc-glycine tert-butyl ester,n-boc-glycine tert-butyl ester,n-tert-butoxycarbonyl glycine tert-butyl ester,glycine, n-1,1-dimethylethoxy carbonyl-, 1,1-dimethylethyl ester,tert-butyl 2-2-methylpropan-2-yl oxycarbonylamino acetate,2-azabutanedioic acid di-tert-butyl ester PubChem CID: 4097102 SMILES: CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C

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PubChem CID	4097102
CAS	111652-20-1
Molecular Weight (g/mol)	231.29
MDL Number	MFCD00191866
SMILES	CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C
Synonym	boc-gly-otbu,tert-butyl 2-tert-butoxycarbonyl amino acetate,boc-glycine tert-butyl ester,n-boc-glycine tert-butyl ester,n-tert-butoxycarbonyl glycine tert-butyl ester,glycine, n-1,1-dimethylethoxy carbonyl-, 1,1-dimethylethyl ester,tert-butyl 2-2-methylpropan-2-yl oxycarbonylamino acetate,2-azabutanedioic acid di-tert-butyl ester
InChI Key	ZDKFMHKWZATBMR-UHFFFAOYSA-N
Molecular Formula	C11H21NO4

Enalapril

CAS: 75847-73-3 Molecular Formula: C20H28N2O5 Molecular Weight (g/mol): 376.453 MDL Number: MFCD00865774 InChI Key: GBXSMTUPTTWBMN-XIRDDKMYSA-N Synonym: enalapril,enalaprilum,vasotec,enalaprila,enalapril tn,unii-69pn84io1a,enalapril inn,enalapril richet,chembl578,enalaprilum inn-latin PubChem CID: 5388962 ChEBI: CHEBI:4784 IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O

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Specifications

PubChem CID	5388962
CAS	75847-73-3
Molecular Weight (g/mol)	376.453
ChEBI	CHEBI:4784
MDL Number	MFCD00865774
SMILES	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O
Synonym	enalapril,enalaprilum,vasotec,enalaprila,enalapril tn,unii-69pn84io1a,enalapril inn,enalapril richet,chembl578,enalaprilum inn-latin
IUPAC Name	(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
InChI Key	GBXSMTUPTTWBMN-XIRDDKMYSA-N
Molecular Formula	C20H28N2O5

Cycloheptanone, 98+%

CAS: 502-42-1 Molecular Formula: C₇H₁₂O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00004159 InChI Key: CGZZMOTZOONQIA-UHFFFAOYSA-N Synonym: suberone,ketocycloheptane,suberon,ketoheptamethylene,cycloheptanon,cycloheptyloxy,chembl18607,cycloheptan-1-one,cyclo-heptanone,1-oxocycloheptane PubChem CID: 10400 IUPAC Name: cycloheptanone SMILES: C1CCCC(=O)CC1

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Specifications

PubChem CID	10400
CAS	502-42-1
Molecular Weight (g/mol)	112.17
MDL Number	MFCD00004159
SMILES	C1CCCC(=O)CC1
Synonym	suberone,ketocycloheptane,suberon,ketoheptamethylene,cycloheptanon,cycloheptyloxy,chembl18607,cycloheptan-1-one,cyclo-heptanone,1-oxocycloheptane
IUPAC Name	cycloheptanone
InChI Key	CGZZMOTZOONQIA-UHFFFAOYSA-N
Molecular Formula	C₇H₁₂O

Unclassified Organic Compounds

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