Vitas-M small molecule compound
methyl 4,5-dimethoxy-2-({[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-isochromen-6-yl]carbonyl}amino)benzoate
Catalog ID
STK951353
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)c1ccc2c(c1)CC(OC2=O)c1ccc(cc1)C)OC
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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 C27H25NO7 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO7/c1-15-5-7-16(8-6-15)22-12-18-11-17(9-10-19(18)27(31)35-22)25(29)28-21-14-24(33-3)23(32-2)13-20(21)26(30)34-4/h5-11,13-14,22H,12H2,1-4H3,(H,28,29)InChIKey
SVHFEPCQMMMKKO-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4C(=O)OC)OC)OC)C(=O)O2
InChI=1SC27H25NO7c1155716(8615)2212181117(91019(18)27(31)3522)25(29)28211424(333)23(322)1320(21)26(30)344h511131422H12H214H3(H2829)
methyl45dimethoxy2(((3(4methylphenyl)1oxo34dihydro1Hisochromen6yl)carbonyl)amino)benzoate
methyl45dimethoxy2((3(4methylphenyl)1oxo34dihydroisochromene6carbonyl)amino)benzoate
METHYL45DIMETHOXY2((3(4METHYLPHENYL)1OXOISOCHROMAN6YL)CARBONYLAMINO)BENZOATE
MFCD09759943
ZINC000011689849
ZINC000011689850
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