Vitas-M small molecule compound
ethyl 4,5-dimethyl-2-({[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-isochromen-6-yl]carbonyl}amino)thiophene-3-carboxylate
Catalog ID
STK951350
SMILES CCOC(=O)c1c(NC(=O)c2ccc3c(c2)CC(OC3=O)c2ccc(cc2)C)sc(c1C)C
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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 C26H25NO5S MW 463.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO5S/c1-5-31-26(30)22-15(3)16(4)33-24(22)27-23(28)18-10-11-20-19(12-18)13-21(32-25(20)29)17-8-6-14(2)7-9-17/h6-12,21H,5,13H2,1-4H3,(H,27,28)InChIKey
DJSVERWZAJHQCF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=C(C=C4)C
ethyl45dimethyl2(((3(4methylphenyl)1oxo34dihydro1Hisochromen6yl)carbonyl)amino)thiophene3carboxylate
ethyl45dimethyl2((3(4methylphenyl)1oxo34dihydroisochromene6carbonyl)amino)thiophene3carboxylate
ETHYL45DIMETHYL2((3(4METHYLPHENYL)1OXOISOCHROMAN6YL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC26H25NO5Sc153126(30)2215(3)16(4)3324(22)2723(28)1810112019(1218)1321(3225(20)29)178614(2)7917h61221H513H214H3(H2728)
MFCD09980361
ZINC000011666578
ZINC000011666579
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