Vitas-M small molecule compound
2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Catalog ID
STK839323
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)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/c1-16-11-12-21(18(3)13-16)29-24(32)15-33-27-20(14-28)25(19-8-5-4-7-17(19)2)26-22(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
GLXWXOFTIHABRR-UHFFFAOYSA-NSynonyms
384356-62-12((3cyano4(2methylphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(24dimethylphenyl)acetamide
2((3cyano4(2methylphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(24dimethylphenyl)acetamide
2((3cyano5oxo4(otolyl)145678hexahydroquinolin2yl)thio)N(24dimethylphenyl)acetamide
384356621
CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CC=C4C)C#N)C
InChI=1SC27H27N3O2Sc116111221(18(3)1316)2924(32)15332720(1428)25(19854717(19)2)2622(3027)961023(26)31h457811132530H691015H213H3(H2932)
MFCD03000902
ZINC000013174493
ZINC000013174495
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