Vitas-M small molecule compound
ethyl 4-({[5-cyano-6-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridin-3-yl]carbonyl}amino)benzoate
Catalog ID
STK886344
SMILES CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccc(cc1)C(=O)OCC)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 C31H30N4O6S MW 586.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O6S/c1-4-39-23-14-12-21(13-15-23)34-26(36)18-42-30-24(17-32)28(25-7-6-16-41-25)27(19(3)33-30)29(37)35-22-10-8-20(9-11-22)31(38)40-5-2/h6-16,28,33H,4-5,18H2,1-3H3,(H,34,36)(H,35,37)InChIKey
LMCHHQLMGKEXKN-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC)C4=CC=CO4)C#N
ethyl4(((5cyano6((2((4ethoxyphenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridin3yl)carbonyl)amino)benzoate
ethyl4((5cyano6(2(4ethoxyanilino)2oxoethyl)sulfanyl4(furan2yl)2methyl14dihydropyridine3carbonyl)amino)benzoate
InChI=1SC31H30N4O6Sc143923141221(131523)3426(36)18423024(1732)28(2576164125)27(19(3)3330)29(37)352210820(91122)31(38)4052h6162833H4518H213H3(H3436)(H3537)
MFCD10086819
ZINC000102512700
ZINC000102512707
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