Vitas-M small molecule compound

2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoic acid

Catalog ID
STK996884
SMILES COc1c(OC)ccc2c1C(=O)OC2Nc1ccccc1C(=O)O

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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 C17H15NO6 MW 329.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO6/c1-22-12-8-7-10-13(14(12)23-2)17(21)24-15(10)18-11-6-4-3-5-9(11)16(19)20/h3-8,15,18H,1-2H3,(H,19,20)
InChIKey
PTZQTSZGLJRELG-UHFFFAOYSA-N
Synonyms
374701-39-0
2((45dimethoxy3oxo13dihydro2benzofuran1yl)amino)benzoicacid
2((45dimethoxy3oxo13dihydroisobenzofuran1yl)amino)benzoicacid
2((45DIMETHOXY3OXO1H2BENZOFURAN1YL)AMINO)BENZOICACID
374701390
COC1=C(C2=C(C=C1)C(OC2=O)NC3=CC=CC=C3C(=O)O)OC
InChI=1SC17H15NO6c12212871013(14(12)232)17(21)2415(10)181164359(11)16(19)20h381518H12H3(H1920)
MFCD01544847
ZINC000000517912
ZINC000000517913

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.