Vitas-M small molecule compound
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate
Catalog ID
STL542292
SMILES COC(=O)CC(c1c(O)c(O)c(c2c1oc(cc2=O)c1ccccc1)O)c1ccc2c(c1)OCCO2
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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 C27H22O9 MW 490.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22O9/c1-33-21(29)12-16(15-7-8-18-20(11-15)35-10-9-34-18)22-24(30)26(32)25(31)23-17(28)13-19(36-27(22)23)14-5-3-2-4-6-14/h2-8,11,13,16,30-32H,9-10,12H2,1H3InChIKey
DTALCBUVKSAGEB-UHFFFAOYSA-NSynonyms
1574392-84-91574392849
75492011
InChI=1SC27H22O9c13321(29)1216(15781820(1115)351093418)2224(30)26(32)25(31)2317(28)1319(3627(22)23)145324614h281113163032H91012H21H3
methyl3(23dihydro14benzodioxin6yl)3(567trihydroxy4oxo2phenyl4Hchromen8yl)propanoate
methyl3(23dihydro14benzodioxin6yl)3(567trihydroxy4oxo2phenylchromen8yl)propanoate
METHYL3(23DIHYDROBENZO(B)(14)DIOXIN6YL)3(567TRIHYDROXY4OXO2PHENYL4HCHROMEN8YL)PROPANOATE
MFCD28052515
ZINC000096222138
ZINC000096222140
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