Vitas-M small molecule compound
methyl {[(2E)-3-oxo-2-(2,3,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
Catalog ID
STL496893
SMILES COC(=O)COc1ccc2c(c1)O/C(=C/c1cc(OC)cc(c1OC)OC)/C2=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 C21H20O8 MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O8/c1-24-14-7-12(21(27-4)18(10-14)25-2)8-17-20(23)15-6-5-13(9-16(15)29-17)28-11-19(22)26-3/h5-10H,11H2,1-4H3/b17-8+InChIKey
XNGVAMGRJPMTKO-CAOOACKPSA-NSynonyms
1676104-69-0(E)methyl2((3oxo2(235trimethoxybenzylidene)23dihydrobenzofuran6yl)oxy)acetate
1676104690
99998247
COC(=O)COc1ccc2c(c1)OC(=Cc1cc(OC)cc(c1OC)OC)C2=O
InChI=1SC21H20O8c12414712(21(274)18(1014)252)81720(23)156513(916(15)2917)281119(22)263h510H11H214H3b178+
methyl(((2E)3oxo2(235trimethoxybenzylidene)23dihydro1benzofuran6yl)oxy)acetate
methyl2(((2E)3oxo2((235trimethoxyphenyl)methylidene)1benzofuran6yl)oxy)acetate
MFCD28985395
ZINC000217953720
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