Vitas-M small molecule compound
methyl 5-cyano-4-(2-ethoxyphenyl)-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827651
SMILES CCOc1ccccc1C1C(=C(SCC(=O)Nc2ccc(cc2)F)NC(=C1C(=O)OC)C)C#N
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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 C25H24FN3O4S MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24FN3O4S/c1-4-33-20-8-6-5-7-18(20)23-19(13-27)24(28-15(2)22(23)25(31)32-3)34-14-21(30)29-17-11-9-16(26)10-12-17/h5-12,23,28H,4,14H2,1-3H3,(H,29,30)InChIKey
RMCHSOPBYNVQFX-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C(=C(NC(=C2C(=O)OC)C)SCC(=O)NC3=CC=C(C=C3)F)C#N
InChI=1SC25H24FN3O4Sc143320865718(20)2319(1327)24(2815(2)22(23)25(31)323)341421(30)291711916(26)101217h5122328H414H213H3(H2930)
methyl5cyano4(2ethoxyphenyl)6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
METHYL5CYANO4(2ETHOXYPHENYL)6(2(4FLUOROANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03980842
ZINC000020348649
ZINC000020348650
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