Vitas-M small molecule compound

8-{[butyl(ethyl)amino]methyl}-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

Catalog ID
STK545951
SMILES CCCCCCc1cc2c(c(c1O)CN(CCCC)CC)oc(c(c2=O)Oc1cc(C)cc(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 C31H40F3NO4 MW 547.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40F3NO4/c1-6-9-11-12-13-22-18-24-27(37)29(38-23-16-20(4)15-21(5)17-23)30(31(32,33)34)39-28(24)25(26(22)36)19-35(8-3)14-10-7-2/h15-18,36H,6-14,19H2,1-5H3
InChIKey
FWSIUSPULGLNKG-UHFFFAOYSA-N
Synonyms
459152-85-3
3(35DIMETHYLPHENOXY)8((BUTYLETHYLAMINO)METHYL)6HEXYL7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
459152853
8((butyl(ethyl)amino)methyl)3(35dimethylphenoxy)6hexyl7hydroxy2(trifluoromethyl)4Hchromen4one
8((BUTYL(ETHYL)AMINO)METHYL)3(35DIMETHYLPHENOXY)6HEXYL7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
8((butyl(ethyl)azaniumyl)methyl)3(35dimethylphenoxy)6hexyl4oxo2(trifluoromethyl)chromen7olate
CCCCCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)C(NH+)(CC)CCCC)(O)
InChI=1SC31H40F3NO4c16911121322182427(37)29(38231620(4)1521(5)1723)30(31(3233)34)3928(24)25(26(22)36)1935(83)141072h151836H61419H215H3
MFCD02348307
ZINC000004289784
ZINC4289784

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Available files

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