Vitas-M small molecule compound
prop-2-en-1-yl 4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK546300
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1nccs1
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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 C30H28N4O5S2 MW 588.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O5S2/c1-4-13-38-29(36)26-19(2)33-28(41-18-25(35)34-30-32-12-14-40-30)22(16-31)27(26)21-10-11-23(24(15-21)37-3)39-17-20-8-6-5-7-9-20/h4-12,14-15,27,33H,1,13,17-18H2,2-3H3,(H,32,34,35)InChIKey
CEUSPOMKNKZYSL-UHFFFAOYSA-NSynonyms
allyl4(4(benzyloxy)3methoxyphenyl)5cyano2methyl6((2oxo2(thiazol2ylamino)ethyl)thio)14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=NC=CS2)C#N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCC=C
InChI=1SC30H28N4O5S2c14133829(36)2619(2)3328(411825(35)34303212144030)22(1631)27(26)21101123(24(1521)373)3917208657920h41214152733H1131718H223H3(H323435)
MFCD03664386
prop2en1yl4(4(benzyloxy)3methoxyphenyl)5cyano2methyl6((2oxo2(13thiazol2ylamino)ethyl)sulfanyl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO4(3METHOXY4PHENYLMETHOXYPHENYL)2METHYL6(2OXO2(13THIAZOL2YLAMINO)ETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000097999377
ZINC000097999378
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