Vitas-M small molecule compound
ethyl 5-cyano-4-(furan-2-yl)-6-[(2-{[2-(methoxycarbonyl)phenyl]amino}-2-oxoethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826702
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccccc1C(=O)OC)c1ccccc1
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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 C29H25N3O6S MW 543.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O6S/c1-3-37-29(35)25-24(22-14-9-15-38-22)20(16-30)27(32-26(25)18-10-5-4-6-11-18)39-17-23(33)31-21-13-8-7-12-19(21)28(34)36-2/h4-15,24,32H,3,17H2,1-2H3,(H,31,33)InChIKey
QEJGKHAUJFLEQZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NC3=CC=CC=C3C(=O)OC)C4=CC=CC=C4
ethyl5cyano4(furan2yl)6((2((2(methoxycarbonyl)phenyl)amino)2oxoethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl5cyano4(furan2yl)6(2(2methoxycarbonylanilino)2oxoethyl)sulfanyl2phenyl14dihydropyridine3carboxylate
InChI=1SC29H25N3O6Sc133729(35)2524(22149153822)20(1630)27(3226(25)18105461118)391723(33)312113871219(21)28(34)362h4152432H317H212H3(H3133)
MFCD10086643
ZINC000101156058
ZINC000101156063
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