Vitas-M small molecule compound

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

Catalog ID
STL541842
SMILES COC(=O)CC(c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O)c1cc(F)c(c(c1)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 C25H17F3O9 MW 518.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17F3O9/c1-36-18(33)7-11(10-4-12(26)21(28)13(27)5-10)19-16(31)8-17(32)20-22(34)23(35)24(37-25(19)20)9-2-3-14(29)15(30)6-9/h2-6,8,11,29-32,35H,7H2,1H3
InChIKey
JMENGWLUNFMAEC-UHFFFAOYSA-N
Synonyms
1574379-65-9
1574379659
75491106
InChI=1SC25H17F3O9c13618(33)711(10412(26)21(28)13(27)510)1916(31)817(32)2022(34)23(35)24(3725(19)20)92314(29)15(30)69h26811293235H7H21H3
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxo4Hchromen8yl)3(345trifluorophenyl)propanoate
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxochromen8yl)3(345trifluorophenyl)propanoate
MFCD28052170
ZINC000108447695
ZINC000108447699

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Available files

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