Vitas-M small molecule compound
2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Catalog ID
STK839375
SMILES N#CC1=C(SCC(=O)Nc2c(C)cccc2C)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/c1-16-8-4-5-11-19(16)24-20(14-28)27(29-21-12-7-13-22(31)25(21)24)33-15-23(32)30-26-17(2)9-6-10-18(26)3/h4-6,8-11,24,29H,7,12-13,15H2,1-3H3,(H,30,32)InChIKey
DLYQGEVJQHIUTQ-UHFFFAOYSA-NSynonyms
369395-79-92((3cyano4(2methylphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(26dimethylphenyl)acetamide
2((3cyano4(2methylphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(26dimethylphenyl)acetamide
2((3cyano5oxo4(otolyl)145678hexahydroquinolin2yl)thio)N(26dimethylphenyl)acetamide
369395799
CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CC=C4C)C#N
InChI=1SC27H27N3O2Sc1168451119(16)2420(1428)27(29211271322(31)25(21)24)331523(32)302617(2)961018(26)3h468112429H7121315H213H3(H3032)
MFCD03000274
ZINC000002310946
ZINC000085846269
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