Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887258
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)Nc1cccc(c1)OC
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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 C26H25N3O4S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S/c1-4-13-33-26(31)23-17(2)28-25(21(15-27)24(23)18-9-6-5-7-10-18)34-16-22(30)29-19-11-8-12-20(14-19)32-3/h4-12,14,24,28H,1,13,16H2,2-3H3,(H,29,30)InChIKey
NUOJRXRXBUTTQJ-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)OC)C#N)C3=CC=CC=C3)C(=O)OCC=C
InChI=1SC26H25N3O4Sc14133326(31)2317(2)2825(21(1527)24(23)1896571018)341622(30)29191181220(1419)323h412142428H11316H223H3(H2930)
MFCD10088109
prop2en1yl5cyano6((2((3methoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl4phenyl14dihydropyridine3carboxylate
prop2enyl5cyano6(2(3methoxyanilino)2oxoethyl)sulfanyl2methyl4phenyl14dihydropyridine3carboxylate
ZINC000020348504
ZINC000020348506
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