Vitas-M small molecule compound
methyl 2-({[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-isochromen-6-yl]carbonyl}amino)benzoate
Catalog ID
STK951344
SMILES COC(=O)c1ccccc1NC(=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 C25H21NO5 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO5/c1-15-7-9-16(10-8-15)22-14-18-13-17(11-12-19(18)25(29)31-22)23(27)26-21-6-4-3-5-20(21)24(28)30-2/h3-13,22H,14H2,1-2H3,(H,26,27)InChIKey
PNENUKVADBXNQA-UHFFFAOYSA-NSynonyms
951895-88-8951895888
CC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C(=O)OC)C(=O)O2
InChI=1SC25H21NO5c1157916(10815)2214181317(111219(18)25(29)3122)23(27)2621643520(21)24(28)302h31322H14H212H3(H2627)
methyl2(((3(4methylphenyl)1oxo34dihydro1Hisochromen6yl)carbonyl)amino)benzoate
methyl2((3(4methylphenyl)1oxo34dihydroisochromene6carbonyl)amino)benzoate
METHYL2((3(4METHYLPHENYL)1OXOISOCHROMAN6YL)CARBONYLAMINO)BENZOATE
METHYL2(1OXO3(PTOLYL)ISOCHROMAN6CARBOXAMIDO)BENZOATE
MFCD09980358
ZINC000011666570
ZINC000011666571
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