Vitas-M small molecule compound

(2Z)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate

Catalog ID
STK923774
SMILES COc1ccc(c(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1ccc2c(c1)OCO2)OC

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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/c1-28-16-5-8-19(29-2)15(9-16)11-23-24(26)18-6-4-17(12-21(18)33-23)32-25(27)14-3-7-20-22(10-14)31-13-30-20/h3-12H,13H2,1-2H3/b23-11-
InChIKey
WASKKWXUELDWAQ-KSEXSDGBSA-N
Synonyms
858761-60-1
((2Z)2((25DIMETHOXYPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)13BENZODIOXOLE5CARBOXYLATE
(2Z)2(25dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl13benzodioxole5carboxylate
(Z)2(25dimethoxybenzylidene)3oxo23dihydrobenzofuran6ylbenzo(d)(13)dioxole5carboxylate
2((25DIMETHOXYPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL2HBENZO(34D)13DIOXOLENE5CARBOXYLATE
858761601
COC1=CC(=C(C=C1)OC)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5
COc1ccc(c(c1)C=C1Oc2c(C1=O)ccc(c2)OC(=O)c1ccc2c(c1)OCO2)OC
InChI=1SC25H18O8c128165819(292)15(916)112324(26)186417(1221(18)3323)3225(27)14372022(1014)31133020h312H13H212H3b2311
MFCD04142871
ZINC000002097904
ZINC02097904
ZINC2097904

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.