Vitas-M small molecule compound

butyl {[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

Catalog ID
STL331949
SMILES CCCCOC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1cccc(c1)C)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 C23H21F3O6 MW 450.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21F3O6/c1-3-4-10-29-19(27)13-30-15-8-9-17-18(12-15)32-22(23(24,25)26)21(20(17)28)31-16-7-5-6-14(2)11-16/h5-9,11-12H,3-4,10,13H2,1-2H3
InChIKey
SCUFQWDUZSAODD-UHFFFAOYSA-N
Synonyms
347366-24-9
347366249
butyl((3(3methylphenoxy)4oxo2(trifluoromethyl)4Hchromen7yl)oxy)acetate
butyl2((4oxo3(mtolyloxy)2(trifluoromethyl)4Hchromen7yl)oxy)acetate
BUTYL2(3(3METHYLPHENOXY)4OXO2(TRIFLUOROMETHYL)CHROMEN7YL)OXYACETATE
BUTYL2(3(3METHYLPHENOXY)4OXO2(TRIFLUOROMETHYL)CHROMEN7YLOXY)ACETATE
CCCCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC(=C3)C
InChI=1SC23H21F3O6c134102919(27)133015891718(1215)3222(23(2425)26)21(20(17)28)311675614(2)1116h591112H341013H212H3
MFCD02333652
ZINC000001770051
ZINC01770051
ZINC1770051

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Available files

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