Vitas-M small molecule compound

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

Catalog ID
STK826862
SMILES N#CC1=C(SCC(=O)Nc2c(C)cccc2CC)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C

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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 C29H30ClN3O2S MW 520.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClN3O2S/c1-5-18-8-6-7-17(2)27(18)33-24(35)16-36-28-21(15-31)25(19-9-11-20(30)12-10-19)26-22(32-28)13-29(3,4)14-23(26)34/h6-12,25,32H,5,13-14,16H2,1-4H3,(H,33,35)
InChIKey
JTHBZXNZCGLGEI-UHFFFAOYSA-N
Synonyms
799787-34-1
2((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(2ethyl6methylphenyl)acetamide
2((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)thio)N(2ethyl6methylphenyl)acetamide
2((4(4chlorophenyl)3cyano77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(2ethyl6methylphenyl)acetamide
799787341
CCC1=CC=CC(=C1NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)Cl)C#N)C
InChI=1SC29H30ClN3O2Sc151886717(2)27(18)3324(35)16362821(1531)25(1991120(30)121019)2622(3228)1329(34)1423(26)34h6122532H5131416H214H3(H3335)
MFCD03675871
ZINC000020171664
ZINC000020171666

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Available files

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