Vitas-M small molecule compound
2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
Catalog ID
STK886647
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC2=C(C1c1ccc3c(c1)OCO3)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 C26H22ClN3O4S MW 508.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O4S/c1-14-17(27)4-2-5-18(14)29-23(32)12-35-26-16(11-28)24(25-19(30-26)6-3-7-20(25)31)15-8-9-21-22(10-15)34-13-33-21/h2,4-5,8-10,24,30H,3,6-7,12-13H2,1H3,(H,29,32)InChIKey
WUXFUKGEEVNAAH-UHFFFAOYSA-NSynonyms
370843-09-72((4(13benzodioxol5yl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(3chloro2methylphenyl)acetamide
2((4(13benzodioxol5yl)3cyano5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(3chloro2methylphenyl)acetamide
2((4(benzo(d)(13)dioxol5yl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(3chloro2methylphenyl)acetamide
370843097
CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC5=C(C=C4)OCO5)C#N
InChI=1SC26H22ClN3O4Sc11417(27)42518(14)2923(32)12352616(1128)24(2519(3026)63720(25)31)15892122(1015)34133321h2458102430H3671213H21H3(H2932)
MFCD02999082
ZINC000013174068
ZINC000013174069
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