Vitas-M small molecule compound

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

Catalog ID
STK839612
SMILES N#CC1=C(SCC(=O)Nc2cc(C)ccc2C)NC2=C(C1c1ccccc1C)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 C27H27N3O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S/c1-16-11-12-18(3)22(13-16)29-24(32)15-33-27-20(14-28)25(19-8-5-4-7-17(19)2)26-21(30-27)9-6-10-23(26)31/h4-5,7-8,11-13,25,30H,6,9-10,15H2,1-3H3,(H,29,32)
InChIKey
CZGIIMSEHNAQGG-UHFFFAOYSA-N
Synonyms
384356-37-0
2((3cyano4(2methylphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(25dimethylphenyl)acetamide
2((3cyano4(2methylphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(25dimethylphenyl)acetamide
2((3cyano5oxo4(otolyl)145678hexahydroquinolin2yl)thio)N(25dimethylphenyl)acetamide
384356370
CC1=CC(=C(C=C1)C)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CC=C4C)C#N
InChI=1SC27H27N3O2Sc116111218(3)22(1316)2924(32)15332720(1428)25(19854717(19)2)2621(3027)961023(26)31h457811132530H691015H213H3(H2932)
MFCD03000882
ZINC000013174485
ZINC000013174486

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Available files

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