Vitas-M small molecule compound
prop-2-en-1-yl 4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-2-methyl-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK545334
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)c1ccc(cc1)C
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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 C34H32N2O5S MW 580.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O5S/c1-5-17-40-34(38)31-23(3)36-33(42-21-28(37)25-13-11-22(2)12-14-25)27(19-35)32(31)26-15-16-29(30(18-26)39-4)41-20-24-9-7-6-8-10-24/h5-16,18,32,36H,1,17,20-21H2,2-4H3InChIKey
SHLHRIRQSDGTQT-UHFFFAOYSA-NSynonyms
allyl4(4(benzyloxy)3methoxyphenyl)5cyano2methyl6((2oxo2(ptolyl)ethyl)thio)14dihydropyridine3carboxylate
CC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C#N
InChI=1SC34H32N2O5Sc15174034(38)3123(3)3633(422128(37)25131122(2)121425)27(1935)32(31)26151629(30(1826)394)41202497681024h516183236H1172021H224H3
MFCD03668461
prop2en1yl4(4(benzyloxy)3methoxyphenyl)5cyano2methyl6((2(4methylphenyl)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO4(3METHOXY4PHENYLMETHOXYPHENYL)2METHYL6(2(4METHYLPHENYL)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000098000227
ZINC000098000228
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