Vitas-M small molecule compound
methyl 5-cyano-6-({2-[(2-ethyl-6-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK826539
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1c(C)cccc1CC
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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 C26H27N3O4S MW 477.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4S/c1-5-17-8-6-7-16(3)23(17)28-20(30)14-34-25-19(13-27)21(18-11-9-15(2)10-12-18)22(24(31)29-25)26(32)33-4/h6-12,21-22H,5,14H2,1-4H3,(H,28,30)(H,29,31)InChIKey
QCWCBKAOARDECI-UHFFFAOYSA-NSynonyms
CCC1=CC=CC(=C1NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=C(C=C3)C)C#N)C
InChI=1SC26H27N3O4Sc151786716(3)23(17)2820(30)14342519(1327)21(1811915(2)101218)22(24(31)2925)26(32)334h6122122H514H214H3(H2830)(H2931)
methyl5cyano6((2((2ethyl6methylphenyl)amino)2oxoethyl)sulfanyl)4(4methylphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl5cyano6(2(2ethyl6methylanilino)2oxoethyl)sulfanyl4(4methylphenyl)2oxo34dihydro1Hpyridine3carboxylate
MFCD10086504
ZINC000012250308
ZINC000012250311
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