Unclassified Organic Compounds

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

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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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Specifications

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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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

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Guanidine Thiocyanate (White Crystalline Powder), Fisher BioReagents™

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

Pricing and Availability
Specifications

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

Kerosene (Odorless), Fisher Chemical™

CAS: 64742-47-8 MDL Number: MFCD00135561

Pricing and Availability
Specifications

CAS	64742-47-8
MDL Number	MFCD00135561

4,4-Difluorocyclohexanone, 97%, Thermo Scientific Chemicals

CAS: 22515-18-0 Molecular Formula: C6H8F2O Molecular Weight (g/mol): 134.126 MDL Number: MFCD08146635 InChI Key: NYYSPVRERVXMLJ-UHFFFAOYSA-N Synonym: 4,4-difluorocyclohexanone,4,4-difluoro-cyclohexanone,cyclohexanone, 4,4-difluoro,difluorocyclohexanone,acmc-1cnv9,4,4-difluoro cyclohexanone,4,4-difluoro-1-cyclohexanone,4,4-difluorocycloxanone,1,1,-difluoro-4-oxocyclohexane PubChem CID: 15789092 IUPAC Name: 4,4-difluorocyclohexan-1-one SMILES: C1CC(CCC1=O)(F)F

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Specifications

PubChem CID	15789092
CAS	22515-18-0
Molecular Weight (g/mol)	134.126
MDL Number	MFCD08146635
SMILES	C1CC(CCC1=O)(F)F
Synonym	4,4-difluorocyclohexanone,4,4-difluoro-cyclohexanone,cyclohexanone, 4,4-difluoro,difluorocyclohexanone,acmc-1cnv9,4,4-difluoro cyclohexanone,4,4-difluoro-1-cyclohexanone,4,4-difluorocycloxanone,1,1,-difluoro-4-oxocyclohexane
IUPAC Name	4,4-difluorocyclohexan-1-one
InChI Key	NYYSPVRERVXMLJ-UHFFFAOYSA-N
Molecular Formula	C6H8F2O

2-Adamantanone, 98%

CAS: 700-58-3 Molecular Formula: C₁₀H₁₄O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00074737 InChI Key: IYKFYARMMIESOX-UHFFFAOYSA-N Synonym: 2-adamantanone,adamantanone,2-adamantone,2-oxoadamantane,tricyclo 3.3.1.13,7 decanone,unii-ui7w503l08,tricyclo 3,3,1,13,7 decanone,tricyclo 3.3.1.1 sup 3,7 decanone,tricyclo 3.3.1.13,7 decan-2-one PubChem CID: 64151 ChEBI: CHEBI:40611 IUPAC Name: adamantan-2-one SMILES: C1C2CC3CC1CC(C2)C3=O

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Specifications

PubChem CID	64151
CAS	700-58-3
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:40611
MDL Number	MFCD00074737
SMILES	C1C2CC3CC1CC(C2)C3=O
Synonym	2-adamantanone,adamantanone,2-adamantone,2-oxoadamantane,tricyclo 3.3.1.13,7 decanone,unii-ui7w503l08,tricyclo 3,3,1,13,7 decanone,tricyclo 3.3.1.1 sup 3,7 decanone,tricyclo 3.3.1.13,7 decan-2-one
IUPAC Name	adamantan-2-one
InChI Key	IYKFYARMMIESOX-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₄O

(S)-4-Fluorophenylglycine, 95%, (98% ee), Thermo Scientific Chemicals

CAS: 19883-57-9 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.16 MDL Number: MFCD00213799 InChI Key: JKFYKCYQEWQPTM-ZETCQYMHSA-N Synonym: s-4-fluorophenylglycine,s-2-amino-2-4-fluorophenyl acetic acid,4-fluoro-l-alpha-phenylglycine,l-4-fluorophenylglycine,4-fluoro-l-phenylglycine,l +-4-fluorophenylglycine,2s-2-amino-2-4-fluorophenyl acetic acid,s-+-4-fluorophenyl glycine,p-fluorophenyl glycine,4-fluorophenylglycine PubChem CID: 853015 IUPAC Name: (2S)-2-amino-2-(4-fluorophenyl)acetic acid SMILES: [NH3+][C@H](C([O-])=O)C1=CC=C(F)C=C1

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Specifications

PubChem CID	853015
CAS	19883-57-9
Molecular Weight (g/mol)	169.16
MDL Number	MFCD00213799
SMILES	[NH3+][C@H](C([O-])=O)C1=CC=C(F)C=C1
Synonym	s-4-fluorophenylglycine,s-2-amino-2-4-fluorophenyl acetic acid,4-fluoro-l-alpha-phenylglycine,l-4-fluorophenylglycine,4-fluoro-l-phenylglycine,l +-4-fluorophenylglycine,2s-2-amino-2-4-fluorophenyl acetic acid,s-+-4-fluorophenyl glycine,p-fluorophenyl glycine,4-fluorophenylglycine
IUPAC Name	(2S)-2-amino-2-(4-fluorophenyl)acetic acid
InChI Key	JKFYKCYQEWQPTM-ZETCQYMHSA-N
Molecular Formula	C8H8FNO2

5-Isoxazol-5-ylthiophene-2-sulfonyl chloride, Tech., Thermo Scientific™

CAS: 551930-53-1 Molecular Formula: C7H4ClNO3S2 Molecular Weight (g/mol): 249.68 InChI Key: SSGKBJJYLTYNQD-UHFFFAOYSA-N Synonym: 5-5-isoxazyl thiophene-2-sulfonyl chloride,5-isoxazol-5-ylthiophene-2-sulfonyl chloride,5-1,2-oxazol-5-yl thiophene-2-sulfonyl chloride,5-5-isoxazolyl-2-thiophenesulfonyl chloride,5-isoxazol-5-yl thiophene-2-sulfonyl chloride,chloro 5-isoxazol-5-yl 2-thienyl sulfone,ssgkbjjyltynqd-uhfffaoysa-n,5-5-isoxazyl thiophene-2-sulphonyl chloride,5-5-isoxazolyl-2-thiophenesulfonoyl chloride,5-5-isoxazolyl thiophene-2-sulfonyl chloride PubChem CID: 2795330

Pricing and Availability
Specifications

PubChem CID	2795330
CAS	551930-53-1
Molecular Weight (g/mol)	249.68
Synonym	5-5-isoxazyl thiophene-2-sulfonyl chloride,5-isoxazol-5-ylthiophene-2-sulfonyl chloride,5-1,2-oxazol-5-yl thiophene-2-sulfonyl chloride,5-5-isoxazolyl-2-thiophenesulfonyl chloride,5-isoxazol-5-yl thiophene-2-sulfonyl chloride,chloro 5-isoxazol-5-yl 2-thienyl sulfone,ssgkbjjyltynqd-uhfffaoysa-n,5-5-isoxazyl thiophene-2-sulphonyl chloride,5-5-isoxazolyl-2-thiophenesulfonoyl chloride,5-5-isoxazolyl thiophene-2-sulfonyl chloride
InChI Key	SSGKBJJYLTYNQD-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO3S2

LiChropur™ Trimethylphenylammonium hydroxide Solution, ∼0.5M (CH3)3N(OH)C6H5 in Methanol, MilliporeSigma™ Supelco™

MDL Number: MFCD00041899 Synonym: Phenyltrimethylammonium hydroxide; TMAH

Pricing and Availability
Specifications

MDL Number	MFCD00041899
Synonym	Phenyltrimethylammonium hydroxide; TMAH

4-Hydroxythiobenzamide, 98%

CAS: 25984-63-8 Molecular Formula: C7H7NOS Molecular Weight (g/mol): 153.20 MDL Number: MFCD04973332 InChI Key: DOCQBKMMNPJLOR-UHFFFAOYSA-N Synonym: 4-hydroxythiobenzamide,4-hydroxybenzothioamide,4-hydroxy thiobenzamide,4-hydroxybenzene-1-carbothioamide,4-hydroxybenzenecarbothioamide,benzenecarbothioamide, 4-hydroxy,4-hydroxy-thiobenzamide,4-aminothioxomethyl phenol,4-amino sulfanyl methylidene cyclohexa-2,5-dien-1-one,p-hydroxythiobenzamide PubChem CID: 5706487 IUPAC Name: 4-[amino(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one SMILES: NC(S)=C1C=CC(=O)C=C1

Pricing and Availability
Specifications

PubChem CID	5706487
CAS	25984-63-8
Molecular Weight (g/mol)	153.20
MDL Number	MFCD04973332
SMILES	NC(S)=C1C=CC(=O)C=C1
Synonym	4-hydroxythiobenzamide,4-hydroxybenzothioamide,4-hydroxy thiobenzamide,4-hydroxybenzene-1-carbothioamide,4-hydroxybenzenecarbothioamide,benzenecarbothioamide, 4-hydroxy,4-hydroxy-thiobenzamide,4-aminothioxomethyl phenol,4-amino sulfanyl methylidene cyclohexa-2,5-dien-1-one,p-hydroxythiobenzamide
IUPAC Name	4-[amino(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one
InChI Key	DOCQBKMMNPJLOR-UHFFFAOYSA-N
Molecular Formula	C7H7NOS

Dimethylammonium-dimethylcarbamate, ratio carbon dioxide/dimethylamine <2:1

CAS: 4137-10-4 Molecular Formula: C5H14N2O2 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00029888 InChI Key: JIYXHCMRGZVYMA-UHFFFAOYSA-N Synonym: DIMCARB IUPAC Name: dimethylamine; dimethylcarbamic acid SMILES: CNC.CN(C)C(O)=O

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Specifications

CAS	4137-10-4
Molecular Weight (g/mol)	134.18
MDL Number	MFCD00029888
SMILES	CNC.CN(C)C(O)=O
Synonym	DIMCARB
IUPAC Name	dimethylamine; dimethylcarbamic acid
InChI Key	JIYXHCMRGZVYMA-UHFFFAOYSA-N
Molecular Formula	C5H14N2O2

2-bromo-1-phenyl-1H-imidazole, Thermo Scientific™

CAS: 1034566-05-6 Molecular Formula: C9H7BrN2 Molecular Weight (g/mol): 223.07 InChI Key: KKPQUNLAAJJUCR-UHFFFAOYSA-N Synonym: 2-bromo-1-phenyl-1h-imidazole,2-bromo-1-phenylimidazole PubChem CID: 45594301

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Specifications

PubChem CID	45594301
CAS	1034566-05-6
Molecular Weight (g/mol)	223.07
Synonym	2-bromo-1-phenyl-1h-imidazole,2-bromo-1-phenylimidazole
InChI Key	KKPQUNLAAJJUCR-UHFFFAOYSA-N
Molecular Formula	C9H7BrN2

N-Boc-L-leucine hydrate, 99%, Thermo Scientific Chemicals

CAS: 13139-15-6 Molecular Formula: C11H21NO4 Molecular Weight (g/mol): 231.29 MDL Number: MFCD00066067 InChI Key: MDXGYYOJGPFFJL-SVGMAFHSNA-N Synonym: boc-leu-oh,boc-l-leucine,n-tert-butoxycarbonyl-l-leucine,n-boc-l-leucine,tert-butoxycarbonyl-l-leucine,tert-butoxycarbonylleucine,s-2-tert-butoxycarbonyl amino-4-methylpentanoic acid,n-tert-butoxycarbonylleucine,boc-l-leu-oh,tert-butyloxycarbonyl-l-leucine PubChem CID: 83170 ChEBI: CHEBI:28702 IUPAC Name: (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(O)=O

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Specifications

PubChem CID	83170
CAS	13139-15-6
Molecular Weight (g/mol)	231.29
ChEBI	CHEBI:28702
MDL Number	MFCD00066067
SMILES	CC(C)C[C@H](NC(=O)OC(C)(C)C)C(O)=O
Synonym	boc-leu-oh,boc-l-leucine,n-tert-butoxycarbonyl-l-leucine,n-boc-l-leucine,tert-butoxycarbonyl-l-leucine,tert-butoxycarbonylleucine,s-2-tert-butoxycarbonyl amino-4-methylpentanoic acid,n-tert-butoxycarbonylleucine,boc-l-leu-oh,tert-butyloxycarbonyl-l-leucine
IUPAC Name	(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI Key	MDXGYYOJGPFFJL-SVGMAFHSNA-N
Molecular Formula	C11H21NO4

Azido-PEG3-biotin conjugate

CAS: 875770-34-6 Molecular Formula: C18H32N6O5S Molecular Weight (g/mol): 444.551 MDL Number: MFCD20134145 InChI Key: ZWFOOMQCYIGZBE-ZOBUZTSGSA-N Synonym: biotin-peg3-azide,n-2-2-2-2-azidoethoxy ethoxy ethoxy ethyl biotinamide,n-2-2-2-2-azidoethoxy ethoxy ethoxy ethyl-5-3as,4s,6ar-2-oxohexahydro-1h-thieno 3,4-d imidazol-4-yl pentanamide,biotin-peg4-n3,azide-peg3-biotin conjugate,azido-peg3-biotin conjugate,11-r-+-biotinylamino-1-azido-3,6,9-trioxaundecane,3abeta,6abeta-n-2-2-2-2-azidoethoxy ethoxy ethoxy ethyl-2-oxohexahydro-1h-thieno 3,4-d imidazole-4alpha-pentanamide PubChem CID: 60146223 IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pentanamide SMILES: C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCN=[N+]=[N-])NC(=O)N2

Pricing and Availability
Specifications

PubChem CID	60146223
CAS	875770-34-6
Molecular Weight (g/mol)	444.551
MDL Number	MFCD20134145
SMILES	C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCN=[N+]=[N-])NC(=O)N2
Synonym	biotin-peg3-azide,n-2-2-2-2-azidoethoxy ethoxy ethoxy ethyl biotinamide,n-2-2-2-2-azidoethoxy ethoxy ethoxy ethyl-5-3as,4s,6ar-2-oxohexahydro-1h-thieno 3,4-d imidazol-4-yl pentanamide,biotin-peg4-n3,azide-peg3-biotin conjugate,azido-peg3-biotin conjugate,11-r-+-biotinylamino-1-azido-3,6,9-trioxaundecane,3abeta,6abeta-n-2-2-2-2-azidoethoxy ethoxy ethoxy ethyl-2-oxohexahydro-1h-thieno 3,4-d imidazole-4alpha-pentanamide
IUPAC Name	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pentanamide
InChI Key	ZWFOOMQCYIGZBE-ZOBUZTSGSA-N
Molecular Formula	C18H32N6O5S

Ribostamycin sulfate, 630^mg/mg

CAS: 53797-35-6 Molecular Formula: C17H36N4O14S Molecular Weight (g/mol): 552.55 MDL Number: MFCD23380549 InChI Key: RTCDDYYZMGGHOE-YMSVYGIHSA-N Synonym: ribostamycin sulfate PubChem CID: 53486170 IUPAC Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}oxane-3,4-diol; sulfuric acid SMILES: OS(O)(=O)=O.NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O

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Specifications

PubChem CID	53486170
CAS	53797-35-6
Molecular Weight (g/mol)	552.55
MDL Number	MFCD23380549
SMILES	OS(O)(=O)=O.NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Synonym	ribostamycin sulfate
IUPAC Name	(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}oxane-3,4-diol; sulfuric acid
InChI Key	RTCDDYYZMGGHOE-YMSVYGIHSA-N
Molecular Formula	C17H36N4O14S

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