Vitas-M small molecule compound
ethyl 4-({[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-isochromen-6-yl]carbonyl}amino)benzoate
Catalog ID
STK951346
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1ccc2c(c1)CC(OC2=O)c1ccc(cc1)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 C26H23NO5 MW 429.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23NO5/c1-3-31-25(29)18-8-11-21(12-9-18)27-24(28)19-10-13-22-20(14-19)15-23(32-26(22)30)17-6-4-16(2)5-7-17/h4-14,23H,3,15H2,1-2H3,(H,27,28)InChIKey
QLXWIUFCABDOQG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=C(C=C4)C
ethyl4(((3(4methylphenyl)1oxo34dihydro1Hisochromen6yl)carbonyl)amino)benzoate
ethyl4((3(4methylphenyl)1oxo34dihydroisochromene6carbonyl)amino)benzoate
ETHYL4((3(4METHYLPHENYL)1OXOISOCHROMAN6YL)CARBONYLAMINO)BENZOATE
InChI=1SC26H23NO5c133125(29)1881121(12918)2724(28)1910132220(1419)1523(3226(22)30)176416(2)5717h41423H315H212H3(H2728)
MFCD09980359
ZINC000011666572
ZINC000011666573
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