Vitas-M small molecule compound
3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2E)-6-hydroxy-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-7-yl]propanoic acid
Catalog ID
STL544418
SMILES COc1cc(cc(c1O)OC)C(c1c(O)ccc2c1O/C(=C/c1cccnc1)/C2=O)CC(=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 C25H21NO8 MW 463.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO8/c1-32-18-9-14(10-19(33-2)24(18)31)16(11-21(28)29)22-17(27)6-5-15-23(30)20(34-25(15)22)8-13-4-3-7-26-12-13/h3-10,12,16,27,31H,11H2,1-2H3,(H,28,29)/b20-8+InChIKey
PVPXAZAYPXRDBK-DNTJNYDQSA-NSynonyms
1676105-61-5(E)3(4HYDROXY35DIMETHOXYPHENYL)3(6HYDROXY3OXO2(PYRIDIN3YLMETHYLENE)23DIHYDROBENZOFURAN7YL)PROPANOICACID
102564546
1676105615
3(4hydroxy35dimethoxyphenyl)3((2~(E))6hydroxy3oxo2(pyridin3ylmethylidene)1benzofuran7yl)propanoicacid
3(4hydroxy35dimethoxyphenyl)3((2E)6hydroxy3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran7yl)propanoicacid
COc1cc(cc(c1O)OC)C(c1c(O)ccc2c1OC(=Cc1cccnc1)C2=O)CC(=O)O
InChI=1SC25H21NO8c13218914(1019(332)24(18)31)16(1121(28)29)2217(27)651523(30)20(3425(15)22)813437261213h31012162731H11H212H3(H2829)b208+
MFCD28985447
ZINC000217967365
ZINC000217967423
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