Vitas-M small molecule compound

methyl 3-(3,4,5-trifluorophenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate

Catalog ID
STL541874
SMILES COC(=O)CC(c1c(O)c(O)c(c2c1oc(cc2=O)c1ccccc1)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 C25H17F3O7 MW 486.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17F3O7/c1-34-18(30)9-13(12-7-14(26)21(28)15(27)8-12)19-22(31)24(33)23(32)20-16(29)10-17(35-25(19)20)11-5-3-2-4-6-11/h2-8,10,13,31-33H,9H2,1H3
InChIKey
JWEVBKSWKXIJFI-UHFFFAOYSA-N
Synonyms
1574391-18-6
1574391186
75491865
InChI=1SC25H17F3O7c13418(30)913(12714(26)21(28)15(27)812)1922(31)24(33)23(32)2016(29)1017(3525(19)20)115324611h2810133133H9H21H3
methyl3(345trifluorophenyl)3(567trihydroxy4oxo2phenyl4Hchromen8yl)propanoate
methyl3(345trifluorophenyl)3(567trihydroxy4oxo2phenylchromen8yl)propanoate
MFCD28052458
ZINC000096221937
ZINC000096221939

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Available files

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