Vitas-M small molecule compound
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3,4-dimethoxybenzoate
Catalog ID
STL033692
SMILES COc1cc(ccc1OC)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/c1-28-18-8-4-15(11-21(18)29-2)25(27)32-16-5-6-17-20(12-16)33-23(24(17)26)10-14-3-7-19-22(9-14)31-13-30-19/h3-12H,13H2,1-2H3/b23-10-InChIKey
DZWASVLQPHTUQG-RMORIDSASA-NSynonyms
859664-73-6((2Z)2(13BENZODIOXOL5YLMETHYLIDENE)3OXO1BENZOFURAN6YL)34DIMETHOXYBENZOATE
(2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl34dimethoxybenzoate
(Z)2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl34dimethoxybenzoate
2(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)3OXOBENZO(34B)FURAN6YL34DIMETHOXYBENZOATE
859664736
COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3)OC
COc1cc(ccc1OC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
InChI=1SC25H18O8c128188415(1121(18)292)25(27)3216561720(1216)3323(24(17)26)1014371922(914)31133019h312H13H212H3b2310
MFCD06495544
ZINC000008789642
ZINC08789642
ZINC8789642
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