Vitas-M small molecule compound

2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide

Catalog ID
STK538508
SMILES N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CCC2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C33H31N3O3S MW 549.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O3S/c1-21-11-14-25(17-22(21)2)35-30(38)20-40-33-27(18-34)31(32-28(36-33)9-6-10-29(32)37)24-12-15-26(16-13-24)39-19-23-7-4-3-5-8-23/h3-5,7-8,11-17,31,36H,6,9-10,19-20H2,1-2H3,(H,35,38)
InChIKey
TYXLPHHWPZLVIL-UHFFFAOYSA-N
Synonyms
370855-97-3
2((3cyano5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)N(34dimethylphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(34dimethylphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(34dimethylphenyl)acetamide
370855973
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N)C
InChI=1SC33H31N3O3Sc121111425(1722(21)2)3530(38)20403327(1834)31(3228(3633)961029(32)37)24121526(161324)3919237435823h357811173136H69101920H212H3(H3538)
MFCD03000044
ZINC000002310636
ZINC000002310637

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Available files

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