Vitas-M small molecule compound
methyl 3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-(pyridin-3-yl)propanoate
Catalog ID
STL566532
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)/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 C25H19NO7 MW 445.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19NO7/c1-30-22(28)11-17(15-3-2-8-26-12-15)23-18(27)6-5-16-24(29)21(33-25(16)23)10-14-4-7-19-20(9-14)32-13-31-19/h2-10,12,17,27H,11,13H2,1H3/b21-10-InChIKey
YYVVDFJGEUOZAV-FBHDLOMBSA-NSynonyms
(Z)methyl3(2(benzo(d)(13)dioxol5ylmethylene)6hydroxy3oxo23dihydrobenzofuran7yl)3(pyridin3yl)propanoate
129895390
COC(=O)CC(c1c(O)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O)c1cccnc1
InChI=1SC25H19NO7c13022(28)1117(15328261215)2318(27)651624(29)21(3325(16)23)1014471920(914)32133119h210121727H1113H21H3b2110
methyl3((2Z)2(13benzodioxol5ylmethylidene)6hydroxy3oxo1benzofuran7yl)3pyridin3ylpropanoate
methyl3((2Z)2(13benzodioxol5ylmethylidene)6hydroxy3oxo23dihydro1benzofuran7yl)3(pyridin3yl)propanoate
MFCD32652029
ZINC000524730836
ZINC001081803297
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