Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826204
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)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 C23H22N4O5S2 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O5S2/c1-4-8-32-22(30)19-13(2)26-21(34-12-18(29)27-23-25-7-9-33-23)15(11-24)20(19)14-5-6-16(28)17(10-14)31-3/h4-7,9-10,20,26,28H,1,8,12H2,2-3H3,(H,25,27,29)InChIKey
SKNWJFDMGZXHHQ-UHFFFAOYSA-NSynonyms
442556-38-9442556389
ALLYL5CYANO4(4HYDROXY3METHOXYPHENYL)2METHYL6((2OXO2(THIAZOL2YLAMINO)ETHYL)THIO)14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=NC=CS2)C#N)C3=CC(=C(C=C3)O)OC)C(=O)OCC=C
InChI=1SC23H22N4O5S2c1483222(30)1913(2)2621(341218(29)272325793323)15(1124)20(19)145616(28)17(1014)313h47910202628H1812H223H3(H252729)
MFCD03297611
prop2en1yl5cyano4(4hydroxy3methoxyphenyl)2methyl6((2oxo2(13thiazol2ylamino)ethyl)sulfanyl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO4(4HYDROXY3METHOXYPHENYL)2METHYL6(2OXO2(13THIAZOL2YLAMINO)ETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020083570
ZINC000020083573
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