Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887271
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)Nc1cccc(c1)C(F)(F)F
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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 C27H24F3N3O5S MW 559.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24F3N3O5S/c1-4-10-38-26(36)23-15(2)32-25(19(13-31)24(23)16-8-9-20(34)21(11-16)37-3)39-14-22(35)33-18-7-5-6-17(12-18)27(28,29)30/h4-9,11-12,24,32,34H,1,10,14H2,2-3H3,(H,33,35)InChIKey
HPUTXASRVWFEJP-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C#N)C3=CC(=C(C=C3)O)OC)C(=O)OCC=C
InChI=1SC27H24F3N3O5Sc14103826(36)2315(2)3225(19(1331)24(23)168920(34)21(1116)373)391422(35)331875617(1218)27(2829)30h491112243234H11014H223H3(H3335)
MFCD10088123
prop2en1yl5cyano4(4hydroxy3methoxyphenyl)2methyl6((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)14dihydropyridine3carboxylate
prop2enyl5cyano4(4hydroxy3methoxyphenyl)2methyl6(2oxo2(3(trifluoromethyl)anilino)ethyl)sulfanyl14dihydropyridine3carboxylate
ZINC000101179676
ZINC000101179678
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