Vitas-M small molecule compound
prop-2-en-1-yl 4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK547111
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)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 C28H28N2O6S MW 520.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O6S/c1-5-13-35-28(32)25-18(2)30-27(37-17-24(31)34-4)21(15-29)26(25)20-11-12-22(23(14-20)33-3)36-16-19-9-7-6-8-10-19/h5-12,14,26,30H,1,13,16-17H2,2-4H3InChIKey
DALLFYUDDOCMLC-UHFFFAOYSA-NSynonyms
797768-45-7797768457
allyl4(4(benzyloxy)3methoxyphenyl)5cyano6((2methoxy2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C(=O)OCC=C
InChI=1SC28H28N2O6Sc15133528(32)2518(2)3027(371724(31)344)21(1529)26(25)20111222(23(1420)333)36161997681019h512142630H1131617H224H3
MFCD03665359
prop2en1yl4(4(benzyloxy)3methoxyphenyl)5cyano6((2methoxy2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO6(2METHOXY2OXOETHYL)SULFANYL4(3METHOXY4PHENYLMETHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020149771
ZINC000020149772
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