Vitas-M small molecule compound

3-(3,4-dimethoxyphenyl)-7-[(4-fluorobenzyl)oxy]-2-(trifluoromethyl)-4H-chromen-4-one

Catalog ID
STK925308
SMILES COc1cc(ccc1OC)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OCc1ccc(cc1)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 C25H18F4O5 MW 474.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18F4O5/c1-31-19-10-5-15(11-21(19)32-2)22-23(30)18-9-8-17(12-20(18)34-24(22)25(27,28)29)33-13-14-3-6-16(26)7-4-14/h3-12H,13H2,1-2H3
InChIKey
LAINVUYADZJXAQ-UHFFFAOYSA-N
Synonyms

3(34dimethoxyphenyl)7((4fluorobenzyl)oxy)2(trifluoromethyl)4Hchromen4one
3(34DIMETHOXYPHENYL)7((4FLUOROPHENYL)METHOXY)2(TRIFLUOROMETHYL)CHROMEN4ONE
COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC=C(C=C4)F)C(F)(F)F)OC
InChI=1SC25H18F4O5c1311910515(1121(19)322)2223(30)189817(1220(18)3424(22)25(2728)29)3313143616(26)7414h312H13H212H3
MFCD02356301
ZINC000001770225
ZINC01770225
ZINC1770225

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Available files

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