Vitas-M small molecule compound
prop-2-en-1-yl 4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK547528
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1ccc(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 C34H33N3O5S MW 595.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N3O5S/c1-5-17-41-34(39)31-23(3)36-33(43-21-30(38)37-26-14-11-22(2)12-15-26)27(19-35)32(31)25-13-16-28(29(18-25)40-4)42-20-24-9-7-6-8-10-24/h5-16,18,32,36H,1,17,20-21H2,2-4H3,(H,37,38)InChIKey
DUQWTKOBPSIJKZ-UHFFFAOYSA-NSynonyms
allyl4(4(benzyloxy)3methoxyphenyl)5cyano2methyl6((2oxo2(ptolylamino)ethyl)thio)14dihydropyridine3carboxylate
CC1=CC=C(C=C1)NC(=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=1SC34H33N3O5Sc15174134(39)3123(3)3633(432130(38)3726141122(2)121526)27(1935)32(31)25131628(29(1825)404)42202497681024h516183236H1172021H224H3(H3738)
MFCD03668434
prop2en1yl4(4(benzyloxy)3methoxyphenyl)5cyano2methyl6((2((4methylphenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO4(3METHOXY4PHENYLMETHOXYPHENYL)2METHYL6(2(4METHYLANILINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000097999749
ZINC000097999750
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