Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887224
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OC)C#N)SCC(=O)Nc1ccccc1
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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 C27H27N3O5S MW 505.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5S/c1-5-13-35-27(32)24-17(2)29-26(36-16-23(31)30-19-9-7-6-8-10-19)20(15-28)25(24)18-11-12-21(33-3)22(14-18)34-4/h5-12,14,25,29H,1,13,16H2,2-4H3,(H,30,31)InChIKey
YYLWNSYCENJTPT-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC(=C(C=C3)OC)OC)C(=O)OCC=C
InChI=1SC27H27N3O5Sc15133527(32)2417(2)2926(361623(31)301997681019)20(1528)25(24)18111221(333)22(1418)344h512142529H11316H224H3(H3031)
MFCD10088056
prop2en1yl5cyano4(34dimethoxyphenyl)2methyl6((2oxo2(phenylamino)ethyl)sulfanyl)14dihydropyridine3carboxylate
prop2enyl6(2anilino2oxoethyl)sulfanyl5cyano4(34dimethoxyphenyl)2methyl14dihydropyridine3carboxylate
ZINC000020348388
ZINC000020348390
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