Vitas-M small molecule compound
[3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)oxiran-2-yl](4-hydroperoxyphenyl)methanone
Catalog ID
STL435965
SMILES COc1c(cc(c2c1OCO2)OC)C1OC1C(=O)c1ccc(cc1)OO
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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 C18H16O8 MW 360.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16O8/c1-21-12-7-11(14(22-2)18-16(12)23-8-24-18)15-17(25-15)13(19)9-3-5-10(26-20)6-4-9/h3-7,15,17,20H,8H2,1-2H3InChIKey
ADUGDSIHXNPKIL-UHFFFAOYSA-NSynonyms
(3(47dimethoxy13benzodioxol5yl)oxiran2yl)(4hydroperoxyphenyl)methanone
COC1=C2C(=C(C(=C1)C3C(O3)C(=O)C4=CC=C(C=C4)OO)OC)OCO2
InChI=1SC18H16O8c12112711(14(222)1816(12)2382418)1517(2515)13(19)93510(2620)649h37151720H8H212H3
MFCD30711872
ZINC000253470504
ZINC000253470507
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