Vitas-M small molecule compound
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate
Catalog ID
STK925685
SMILES O=C(C(C)(C)C)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 C21H18O6 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18O6/c1-21(2,3)20(23)26-13-5-6-14-16(10-13)27-18(19(14)22)9-12-4-7-15-17(8-12)25-11-24-15/h4-10H,11H2,1-3H3/b18-9-InChIKey
JHWWCIJFVBOHQY-NVMNQCDNSA-NSynonyms
929452-55-1((2Z)2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)22dimethylpropanoate
(2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl22dimethylpropanoate
(Z)2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6ylpivalate
2(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)3OXOBENZO(34B)FURAN6YL22DIMETHYLPROPANOATE
929452551
CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC4=C(C=C3)OCO4)O2
InChI=1SC21H18O6c121(23)20(23)2613561416(1013)2718(19(14)22)912471517(812)25112415h410H11H213H3b189
MFCD08746706
O=C(C(C)(C)C)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
ZINC000009304534
ZINC09304534
ZINC9304534
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