Vitas-M small molecule compound
methyl 3-[(2Z)-6-hydroxy-2-(3-hydroxy-4-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-(pyridin-3-yl)propanoate
Catalog ID
STL546711
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\c1ccc(c(c1)O)OC)/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 C25H21NO7 MW 447.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO7/c1-31-20-8-5-14(10-19(20)28)11-21-24(30)16-6-7-18(27)23(25(16)33-21)17(12-22(29)32-2)15-4-3-9-26-13-15/h3-11,13,17,27-28H,12H2,1-2H3/b21-11-InChIKey
IATHYUGTEBKFRS-NHDPSOOVSA-NSynonyms
(Z)METHYL3(6HYDROXY2(3HYDROXY4METHOXYBENZYLIDENE)3OXO23DIHYDROBENZOFURAN7YL)3(PYRIDIN3YL)PROPANOATE
110206371
COC(=O)CC(c1c(O)ccc2c1OC(=Cc1ccc(c(c1)O)OC)C2=O)c1cccnc1
InChI=1SC25H21NO7c131208514(1019(20)28)112124(30)166718(27)23(25(16)3321)17(1222(29)322)15439261315h31113172728H12H212H3b2111
methyl3((2~(Z))6hydroxy2((3hydroxy4methoxyphenyl)methylidene)3oxo1benzofuran7yl)3pyridin3ylpropanoate
methyl3((2Z)6hydroxy2(3hydroxy4methoxybenzylidene)3oxo23dihydro1benzofuran7yl)3(pyridin3yl)propanoate
MFCD29055662
ZINC000253404940
ZINC000253404944
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