Vitas-M small molecule compound

methyl {[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

Catalog ID
STK925803
SMILES CCCc1cc2c(cc1OCC(=O)OC)oc(c(c2=O)c1ccc2c(c1)OCO2)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 C23H19F3O7 MW 464.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19F3O7/c1-3-4-12-7-14-17(9-16(12)30-10-19(27)29-2)33-22(23(24,25)26)20(21(14)28)13-5-6-15-18(8-13)32-11-31-15/h5-9H,3-4,10-11H2,1-2H3
InChIKey
OREZRWAHTUQZFU-UHFFFAOYSA-N
Synonyms
227094-74-8
227094748
CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=C(C=C3)OCO4)OCC(=O)OC
InChI=1SC23H19F3O7c1341271417(916(12)301019(27)292)3322(23(2425)26)20(21(14)28)13561518(813)32113115h59H341011H212H3
methyl((3(13benzodioxol5yl)4oxo6propyl2(trifluoromethyl)4Hchromen7yl)oxy)acetate
METHYL2((3(2H13BENZODIOXOL5YL)4OXO6PROPYL2(TRIFLUOROMETHYL)4HCHROMEN7YL)OXY)ACETATE
methyl2((3(benzo(d)(13)dioxol5yl)4oxo6propyl2(trifluoromethyl)4Hchromen7yl)oxy)acetate
METHYL2(3(13BENZODIOXOL5YL)4OXO6PROPYL2(TRIFLUOROMETHYL)CHROMEN7YL)OXYACETATE
METHYL2(3(2HBENZO(34D)13DIOXOLEN5YL)4OXO6PROPYL2(TRIFLUOROMETHYL)CHROMEN7YLOXY)ACETATE
MFCD00525181
ZINC000002334010
ZINC02334010
ZINC2334010

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Available files

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