Vitas-M small molecule compound
2-({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Catalog ID
STK541817
SMILES N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)NC2=C(C1c1ccc(cc1)C(C)C)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 C29H31N3O2S MW 485.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O2S/c1-17(2)20-9-11-21(12-10-20)27-23(15-30)29(32-24-6-5-7-25(33)28(24)27)35-16-26(34)31-22-13-8-18(3)19(4)14-22/h8-14,17,27,32H,5-7,16H2,1-4H3,(H,31,34)InChIKey
VETOGVDDOKTSMF-UHFFFAOYSA-NSynonyms
497077-74-42((3cyano4(4isopropylphenyl)5oxo145678hexahydroquinolin2yl)thio)N(34dimethylphenyl)acetamide
2((3cyano5oxo4(4(propan2yl)phenyl)145678hexahydroquinolin2yl)sulfanyl)N(34dimethylphenyl)acetamide
2((3cyano5oxo4(4propan2ylphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)N(34dimethylphenyl)acetamide
497077744
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)C(C)C)C#N)C
InChI=1SC29H31N3O2Sc117(2)2091121(121020)2723(1530)29(322465725(33)28(24)27)351626(34)312213818(3)19(4)1422h814172732H5716H214H3(H3134)
MFCD03299324
ZINC000013174796
ZINC000013174824
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