Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-4-(2-fluorophenyl)-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827577
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1cccc(c1)OC
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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 C26H24FN3O4S MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O4S/c1-4-12-34-26(32)23-16(2)29-25(20(14-28)24(23)19-10-5-6-11-21(19)27)35-15-22(31)30-17-8-7-9-18(13-17)33-3/h4-11,13,24,29H,1,12,15H2,2-3H3,(H,30,31)InChIKey
FYSMULJFBYWEFR-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)OC)C#N)C3=CC=CC=C3F)C(=O)OCC=C
InChI=1SC26H24FN3O4Sc14123426(32)2316(2)2925(20(1428)24(23)1910561121(19)27)351522(31)301787918(1317)333h411132429H11215H223H3(H3031)
MFCD10088079
prop2en1yl5cyano4(2fluorophenyl)6((2((3methoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
prop2enyl5cyano4(2fluorophenyl)6(2(3methoxyanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
ZINC000020348437
ZINC000020348439
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