Vitas-M small molecule compound
methyl 2-[({5-cyano-6-[(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(furan-2-yl)-2-methyl-1,4-dihydropyridin-3-yl}carbonyl)amino]benzoate
Catalog ID
STK886347
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1C(=O)OC)c1ccco1
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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 C31H28N4O7S MW 600.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O7S/c1-4-41-30(38)19-11-13-20(14-12-19)34-25(36)17-43-29-22(16-32)27(24-10-7-15-42-24)26(18(2)33-29)28(37)35-23-9-6-5-8-21(23)31(39)40-3/h5-15,27,33H,4,17H2,1-3H3,(H,34,36)(H,35,37)InChIKey
CJRFSVKNIYRAPG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3C(=O)OC)C4=CC=CO4)C#N
InChI=1SC31H28N4O7Sc144130(38)19111320(141219)3425(36)17432922(1632)27(24107154224)26(18(2)3329)28(37)3523965821(23)31(39)403h5152733H417H213H3(H3436)(H3537)
methyl2(((5cyano6((2((4(ethoxycarbonyl)phenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridin3yl)carbonyl)amino)benzoate
methyl2((5cyano6(2(4ethoxycarbonylanilino)2oxoethyl)sulfanyl4(furan2yl)2methyl14dihydropyridine3carbonyl)amino)benzoate
MFCD10086821
ZINC000102808567
ZINC000102808569
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