Vitas-M small molecule compound

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

Catalog ID
STK969738
SMILES CCCCCOC(=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 C24H23F3O6 MW 464.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23F3O6/c1-3-4-5-11-30-20(28)14-31-16-9-10-18-19(13-16)33-23(24(25,26)27)22(21(18)29)32-17-8-6-7-15(2)12-17/h6-10,12-13H,3-5,11,14H2,1-2H3
InChIKey
MWZZHZJXUQXXRX-UHFFFAOYSA-N
Synonyms
329225-30-1
329225301
CCCCCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC(=C3)C
InChI=1SC24H23F3O6c1345113020(28)1431169101819(1316)3323(24(2526)27)22(21(18)29)321786715(2)1217h6101213H351114H212H3
MFCD02355960
pentyl((3(3methylphenoxy)4oxo2(trifluoromethyl)4Hchromen7yl)oxy)acetate
pentyl2((4oxo3(mtolyloxy)2(trifluoromethyl)4Hchromen7yl)oxy)acetate
PENTYL2(3(3METHYLPHENOXY)4OXO2(TRIFLUOROMETHYL)CHROMEN7YL)OXYACETATE
PENTYL2(3(3METHYLPHENOXY)4OXO2(TRIFLUOROMETHYL)CHROMEN7YLOXY)ACETATE
ZINC000001770023
ZINC01770023
ZINC1770023

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Available files

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