Vitas-M small molecule compound
7-(3,4-dihydroxy-2,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Catalog ID
STL435437
SMILES COc1c(cc(c(c1O)O)OC)C1CC(=O)Nc2c1n(cc2C(=O)O)c1cccc(c1)F
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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 C22H19FN2O7 MW 442.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN2O7/c1-31-15-7-13(21(32-2)20(28)19(15)27)12-8-16(26)24-17-14(22(29)30)9-25(18(12)17)11-5-3-4-10(23)6-11/h3-7,9,12,27-28H,8H2,1-2H3,(H,24,26)(H,29,30)InChIKey
WKJHAFKBKCPAKZ-UHFFFAOYSA-NSynonyms
7(34dihydroxy25dimethoxyphenyl)1(3fluorophenyl)5oxo4567tetrahydro1Hpyrrolo(32b)pyridine3carboxylicacid
7(34dihydroxy25dimethoxyphenyl)1(3fluorophenyl)5oxo67dihydro4Hpyrrolo(32b)pyridine3carboxylicacid
COC1=C(C(=C(C(=C1)C2CC(=O)NC3=C2N(C=C3C(=O)O)C4=CC(=CC=C4)F)OC)O)O
InChI=1SC22H19FN2O7c13115713(21(322)20(28)19(15)27)12816(26)241714(22(29)30)925(18(12)17)1153410(23)611h379122728H8H212H3(H2426)(H2930)
MFCD25975324
ZINC000066087927
ZINC000066087928
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