Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK840930
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)c1ccccc1
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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 C26H24N2O5S MW 476.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O5S/c1-4-12-33-26(31)23-16(2)28-25(34-15-21(30)17-8-6-5-7-9-17)19(14-27)24(23)18-10-11-20(29)22(13-18)32-3/h4-11,13,24,28-29H,1,12,15H2,2-3H3InChIKey
VGLCSHYCZVFMPW-UHFFFAOYSA-NSynonyms
499116-89-1499116891
ALLYL5CYANO4(4HYDROXY3METHOXYPHENYL)2METHYL6((2OXO2PHENYLETHYL)THIO)14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC(=C(C=C3)O)OC)C(=O)OCC=C
InChI=1SC26H24N2O5Sc14123326(31)2316(2)2825(341521(30)178657917)19(1427)24(23)18101120(29)22(1318)323h41113242829H11215H223H3
MFCD03302451
prop2en1yl5cyano4(4hydroxy3methoxyphenyl)2methyl6((2oxo2phenylethyl)sulfanyl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO4(4HYDROXY3METHOXYPHENYL)2METHYL6PHENACYLSULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000002351680
ZINC000020103263
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