Vitas-M small molecule compound
prop-2-en-1-yl 4-[4-(benzyloxy)phenyl]-5-cyano-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826687
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)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 C29H26N4O4S2 MW 558.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O4S2/c1-3-14-36-28(35)25-19(2)32-27(39-18-24(34)33-29-31-13-15-38-29)23(16-30)26(25)21-9-11-22(12-10-21)37-17-20-7-5-4-6-8-20/h3-13,15,26,32H,1,14,17-18H2,2H3,(H,31,33,34)InChIKey
JGLWXFLTFCJDPC-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=NC=CS2)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC=C
InChI=1SC29H26N4O4S2c13143628(35)2519(2)3227(391824(34)33293113153829)23(1630)26(25)2191122(121021)3717207546820h313152632H1141718H22H3(H313334)
MFCD03955840
prop2en1yl4(4(benzyloxy)phenyl)5cyano2methyl6((2oxo2(13thiazol2ylamino)ethyl)sulfanyl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO2METHYL6(2OXO2(13THIAZOL2YLAMINO)ETHYL)SULFANYL4(4PHENYLMETHOXYPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000101273263
ZINC000101273264
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