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-(2-ethylphenyl)acetamide
Catalog ID
STK827077
SMILES N#CC1=C(SCC(=O)Nc2ccccc2CC)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 C27H25N3O4S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S/c1-2-16-6-3-4-7-19(16)29-24(32)14-35-27-18(13-28)25(26-20(30-27)8-5-9-21(26)31)17-10-11-22-23(12-17)34-15-33-22/h3-4,6-7,10-12,25,30H,2,5,8-9,14-15H2,1H3,(H,29,32)InChIKey
UISBRRSHOFJLRB-UHFFFAOYSA-NSynonyms
369396-58-72((4(13benzodioxol5yl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(2ethylphenyl)acetamide
2((4(13benzodioxol5yl)3cyano5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(2ethylphenyl)acetamide
2((4(benzo(d)(13)dioxol5yl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(2ethylphenyl)acetamide
369396587
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC5=C(C=C4)OCO5)C#N
InChI=1SC27H25N3O4Sc1216634719(16)2924(32)14352718(1328)25(2620(3027)85921(26)31)1710112223(1217)34153322h346710122530H25891415H21H3(H2932)
MFCD03000338
ZINC000004761487
ZINC000004761496
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