Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-{[2-(diphenylamino)-2-oxoethyl]sulfanyl}-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK550575
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)N(c1ccccc1)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 C32H29N3O5S MW 567.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O5S/c1-4-17-40-32(38)29-21(2)34-31(25(19-33)30(29)22-15-16-26(36)27(18-22)39-3)41-20-28(37)35(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h4-16,18,30,34,36H,1,17,20H2,2-3H3InChIKey
CRRGROXDEQQSKW-UHFFFAOYSA-NSynonyms
allyl5cyano6((2(diphenylamino)2oxoethyl)thio)4(4hydroxy3methoxyphenyl)2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C#N)C4=CC(=C(C=C4)O)OC)C(=O)OCC=C
InChI=1SC32H29N3O5Sc14174032(38)2921(2)3431(25(1933)30(29)22151626(36)27(1822)393)412028(37)35(23117581223)241396101424h41618303436H11720H223H3
MFCD03672119
prop2en1yl5cyano6((2(diphenylamino)2oxoethyl)sulfanyl)4(4hydroxy3methoxyphenyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO4(4HYDROXY3METHOXYPHENYL)2METHYL6(2OXO2(NPHENYLANILINO)ETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000098000100
ZINC000098000101
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