Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-[(2-oxo-2-propoxyethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK885669
SMILES CCCOC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCC=C)c1ccc(c(c1)OC)O
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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 C23H26N2O6S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O6S/c1-5-9-30-19(27)13-32-22-16(12-24)21(15-7-8-17(26)18(11-15)29-4)20(14(3)25-22)23(28)31-10-6-2/h6-8,11,21,25-26H,2,5,9-10,13H2,1,3-4H3InChIKey
SKBOALORHBSOEY-UHFFFAOYSA-NSynonyms
CCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC(=C(C=C2)O)OC)C#N
InChI=1SC23H26N2O6Sc1593019(27)13322216(1224)21(157817(26)18(1115)294)20(14(3)2522)23(28)311062h6811212526H2591013H2134H3
MFCD10086216
prop2en1yl5cyano4(4hydroxy3methoxyphenyl)2methyl6((2oxo2propoxyethyl)sulfanyl)14dihydropyridine3carboxylate
prop2enyl5cyano4(4hydroxy3methoxyphenyl)2methyl6(2oxo2propoxyethyl)sulfanyl14dihydropyridine3carboxylate
ZINC000020347478
ZINC000020347480
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