Vitas-M small molecule compound
methyl 3-(6-bromo-4H-1,3-benzodioxin-8-yl)-3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]propanoate
Catalog ID
STL545118
SMILES COC(=O)CC(c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O)c1cc(Br)cc2c1OCOC2
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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 C27H21BrO8 MW 553.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrO8/c1-33-23(31)10-19(20-9-16(28)8-15-11-34-13-36-26(15)20)24-22(30)7-6-18-25(32)21(12-35-27(18)24)14-2-4-17(29)5-3-14/h2-9,12,19,29-30H,10-11,13H2,1H3InChIKey
XXDFEOGMWUHMAX-UHFFFAOYSA-NSynonyms
1574485-11-21574485112
71827027
InChI=1SC27H21BrO8c13323(31)1019(20916(28)8151134133626(15)20)2422(30)761825(32)21(123527(18)24)142417(29)5314h2912192930H101113H21H3
methyl3(6bromo4~(H)13benzodioxin8yl)3(7hydroxy3(4hydroxyphenyl)4oxochromen8yl)propanoate
methyl3(6bromo4H13benzodioxin8yl)3(7hydroxy3(4hydroxyphenyl)4oxo4Hchromen8yl)propanoate
METHYL3(6BROMO4HBENZO(D)(13)DIOXIN8YL)3(7HYDROXY3(4HYDROXYPHENYL)4OXO4HCHROMEN8YL)PROPANOATE
MFCD28050885
ZINC000097971903
ZINC000097971904
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