Vitas-M small molecule compound

methyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

Catalog ID
STL331501
SMILES COC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc(c(c1)OC)OC)C(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 C21H17F3O7 MW 438.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3O7/c1-27-14-7-4-11(8-16(14)28-2)18-19(26)13-6-5-12(30-10-17(25)29-3)9-15(13)31-20(18)21(22,23)24/h4-9H,10H2,1-3H3
InChIKey
FXKRWKBUVCDTDT-UHFFFAOYSA-N
Synonyms
307534-88-9
307534889
COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OCC(=O)OC)C(F)(F)F)OC
InChI=1SC21H17F3O7c127147411(816(14)282)1819(26)136512(301017(25)293)915(13)3120(18)21(2223)24h49H10H213H3
methyl((3(34dimethoxyphenyl)4oxo2(trifluoromethyl)4Hchromen7yl)oxy)acetate
METHYL2((3(34DIMETHOXYPHENYL)4OXO2(TRIFLUOROMETHYL)4HCHROMEN7YL)OXY)ACETATE
METHYL2(3(34DIMETHOXYPHENYL)4OXO2(TRIFLUOROMETHYL)CHROMEN7YL)OXYACETATE
METHYL2(3(34DIMETHOXYPHENYL)4OXO2(TRIFLUOROMETHYL)CHROMEN7YLOXY)ACETATE
MFCD02332656
ZINC000000939982
ZINC00939982
ZINC939982

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Available files

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