Vitas-M small molecule compound
3-(4-hydroxy-3,5-dimethoxyphenyl)-3-{(2E)-6-hydroxy-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-yl}propanoic acid
Catalog ID
STL566496
SMILES COc1cc(cc(c1O)OC)C(c1c(O)ccc2c1O/C(=C/c1ccc(o1)C)/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 C25H22O9 MW 466.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22O9/c1-12-4-5-14(33-12)10-20-23(29)15-6-7-17(26)22(25(15)34-20)16(11-21(27)28)13-8-18(31-2)24(30)19(9-13)32-3/h4-10,16,26,30H,11H2,1-3H3,(H,27,28)/b20-10+InChIKey
HYAHTBRGSZYTKT-KEBDBYFISA-NSynonyms
(E)3(6hydroxy2((5methylfuran2yl)methylene)3oxo23dihydrobenzofuran7yl)3(4hydroxy35dimethoxyphenyl)propanoicacid
132352147
3(4hydroxy35dimethoxyphenyl)3((2E)6hydroxy2((5methylfuran2yl)methylidene)3oxo1benzofuran7yl)propanoicacid
3(4hydroxy35dimethoxyphenyl)3((2E)6hydroxy2((5methylfuran2yl)methylidene)3oxo23dihydro1benzofuran7yl)propanoicacid
COc1cc(cc(c1O)OC)C(c1c(O)ccc2c1OC(=Cc1ccc(o1)C)C2=O)CC(=O)O
InChI=1SC25H22O9c1124514(3312)102023(29)156717(26)22(25(15)3420)16(1121(27)28)13818(312)24(30)19(913)323h410162630H11H213H3(H2728)b2010+
MFCD32651998
ZINC000824583233
ZINC000824583242
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