Vitas-M small molecule compound
2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Catalog ID
STK887430
SMILES COc1cccc(c1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)Cl
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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 C25H22ClN3O3S MW 479.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O3S/c1-32-18-5-2-4-17(12-18)28-22(31)14-33-25-19(13-27)23(15-8-10-16(26)11-9-15)24-20(29-25)6-3-7-21(24)30/h2,4-5,8-12,23,29H,3,6-7,14H2,1H3,(H,28,31)InChIKey
ZYEUEKQBBJWWNR-UHFFFAOYSA-NSynonyms
370845-83-32((4(4chlorophenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(3methoxyphenyl)acetamide
2((4(4chlorophenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(3methoxyphenyl)acetamide
2((4(4chlorophenyl)3cyano5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(3methoxyphenyl)acetamide
370845833
COC1=CC=CC(=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)Cl)C#N
InChI=1SC25H22ClN3O3Sc1321852417(1218)2822(31)14332519(1327)23(1581016(26)11915)2420(2925)63721(24)30h2458122329H36714H21H3(H2831)
MFCD02999379
ZINC000013174372
ZINC000013174374
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