Vitas-M small molecule compound
methyl 3-(6-bromo-4H-1,3-benzodioxin-8-yl)-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]propanoate
Catalog ID
STL540959
SMILES COC(=O)CC(c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)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 C27H21BrO11 MW 601.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrO11/c1-36-20(33)7-14(15-6-13(28)4-12-9-37-10-38-25(12)15)21-18(31)8-19(32)22-23(34)24(35)26(39-27(21)22)11-2-3-16(29)17(30)5-11/h2-6,8,14,29-32,35H,7,9-10H2,1H3InChIKey
YOOQDWZLYWEYTA-UHFFFAOYSA-NSynonyms
1574390-08-11574390081
75491698
InChI=1SC27H21BrO11c13620(33)714(15613(28)412937103825(12)15)2118(31)819(32)2223(34)24(35)26(3927(21)22)112316(29)17(30)511h26814293235H7910H21H3
methyl3(6bromo4~(H)13benzodioxin8yl)3(2(34dihydroxyphenyl)357trihydroxy4oxochromen8yl)propanoate
methyl3(6bromo4H13benzodioxin8yl)3(2(34dihydroxyphenyl)357trihydroxy4oxo4Hchromen8yl)propanoate
METHYL3(6BROMO4HBENZO(D)(13)DIOXIN8YL)3(2(34DIHYDROXYPHENYL)357TRIHYDROXY4OXO4HCHROMEN8YL)PROPANOATE
MFCD28052397
ZINC000108449281
ZINC000108449284
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