Vitas-M small molecule compound
methyl 3-{(2Z)-6-hydroxy-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-yl}-3-(pyridin-3-yl)propanoate
Catalog ID
STL546484
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\c1cccn1C)/C2=O)c1cccnc1
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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 C23H20N2O5 MW 404.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5/c1-25-10-4-6-15(25)11-19-22(28)16-7-8-18(26)21(23(16)30-19)17(12-20(27)29-2)14-5-3-9-24-13-14/h3-11,13,17,26H,12H2,1-2H3/b19-11-InChIKey
SQGQEYVPHWKSDS-ODLFYWEKSA-NSynonyms
(Z)METHYL3(6HYDROXY2((1METHYL1HPYRROL2YL)METHYLENE)3OXO23DIHYDROBENZOFURAN7YL)3(PYRIDIN3YL)PROPANOATE
110207020
COC(=O)CC(c1c(O)ccc2c1OC(=Cc1cccn1C)C2=O)c1cccnc1
InChI=1SC23H20N2O5c125104615(25)111922(28)167818(26)21(23(16)3019)17(1220(27)292)14539241314h311131726H12H212H3b1911
methyl3((2~(Z))6hydroxy2((1methylpyrrol2yl)methylidene)3oxo1benzofuran7yl)3pyridin3ylpropanoate
methyl3((2Z)6hydroxy2((1methyl1Hpyrrol2yl)methylidene)3oxo23dihydro1benzofuran7yl)3(pyridin3yl)propanoate
MFCD29055962
ZINC000253412977
ZINC000253412978
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