Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-(ethylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK841955
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC
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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 C20H22N2O4S MW 386.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4S/c1-5-9-26-20(24)17-12(3)22-19(27-6-2)14(11-21)18(17)13-7-8-15(23)16(10-13)25-4/h5,7-8,10,18,22-23H,1,6,9H2,2-4H3InChIKey
WZRSOEQODKIMCR-UHFFFAOYSA-NSynonyms
442556-25-4442556254
ALLYL5CYANO6(ETHYLTHIO)4(4HYDROXY3METHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CCSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC(=C(C=C2)O)OC)C#N
InChI=1SC20H22N2O4Sc1592620(24)1712(3)2219(2762)14(1121)18(17)137815(23)16(1013)254h57810182223H169H224H3
MFCD03293658
prop2en1yl5cyano6(ethylsulfanyl)4(4hydroxy3methoxyphenyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO6ETHYLSULFANYL4(4HYDROXY3METHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020080383
ZINC000020080387
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