Vitas-M small molecule compound
methyl 6-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STL381278
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)OC)C#N)SCC(=O)Nc1ccc(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 C23H20ClN3O5S MW 485.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O5S/c1-31-16-9-3-13(4-10-16)19-17(11-25)22(27-21(29)20(19)23(30)32-2)33-12-18(28)26-15-7-5-14(24)6-8-15/h3-10,19-20H,12H2,1-2H3,(H,26,28)(H,27,29)InChIKey
OKZFYVLCBGUZCO-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Cl)C(=O)OC
InChI=1SC23H20ClN3O5Sc131169313(41016)1917(1125)22(2721(29)20(19)23(30)322)331218(28)26157514(24)6815h3101920H12H212H3(H2628)(H2729)
methyl6((2((4chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano4(4methoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
METHYL6(2(4CHLOROANILINO)2OXOETHYL)SULFANYL5CYANO4(4METHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD04151838
ZINC000000639090
ZINC000000639098
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