Vitas-M small molecule compound

methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-[4-(trifluoromethoxy)phenyl]propanoate

Catalog ID
STL543458
SMILES COC(=O)CC(c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O)c1ccc(cc1)OC(F)(F)F

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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 C26H19F3O10 MW 548.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19F3O10/c1-37-19(34)9-14(11-2-5-13(6-3-11)39-26(27,28)29)20-17(32)10-18(33)21-22(35)23(36)24(38-25(20)21)12-4-7-15(30)16(31)8-12/h2-8,10,14,30-33,36H,9H2,1H3
InChIKey
ZATXTVOLFQLFGI-UHFFFAOYSA-N
Synonyms
1574350-91-6
1574350916
75492438
InChI=1SC26H19F3O10c13719(34)914(112513(6311)3926(2728)29)2017(32)1018(33)2122(35)23(36)24(3825(20)21)124715(30)16(31)812h281014303336H9H21H3
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxo4Hchromen8yl)3(4(trifluoromethoxy)phenyl)propanoate
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxochromen8yl)3(4(trifluoromethoxy)phenyl)propanoate
MFCD28052678
ZINC000108451186
ZINC000108451190

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.