Vitas-M small molecule compound
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3,5-dimethoxybenzoate
Catalog ID
STK992284
SMILES COc1cc(OC)cc(c1)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/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 C25H18O8 MW 446.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18O8/c1-28-17-9-15(10-18(11-17)29-2)25(27)32-16-4-5-19-21(12-16)33-23(24(19)26)8-14-3-6-20-22(7-14)31-13-30-20/h3-12H,13H2,1-2H3/b23-8-InChIKey
DBIWBIMQELBWOF-NYAPKIOYSA-NSynonyms
929429-46-9((2Z)2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)35dimethoxybenzoate
(2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl35dimethoxybenzoate
(Z)2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl35dimethoxybenzoate
2(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)3OXOBENZO(34B)FURAN6YL35DIMETHOXYBENZOATE
929429469
COC1=CC(=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3)OC
COc1cc(OC)cc(c1)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
InChI=1SC25H18O8c12817915(1018(1117)292)25(27)3216451921(1216)3323(24(19)26)814362022(714)31133020h312H13H212H3b238
MFCD08751310
ZINC000009420511
ZINC09420511
ZINC9420511
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