Vitas-M small molecule compound
8-(azepan-1-ylmethyl)-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
Catalog ID
STK541123
SMILES CCCCCCc1cc2c(c(c1O)CN1CCCCCC1)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 C31H38F3NO4 MW 545.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38F3NO4/c1-4-5-6-9-12-22-18-24-27(37)29(38-23-16-20(2)15-21(3)17-23)30(31(32,33)34)39-28(24)25(26(22)36)19-35-13-10-7-8-11-14-35/h15-18,36H,4-14,19H2,1-3H3InChIKey
ZSMRZVAYOVVQNF-UHFFFAOYSA-NSynonyms
385394-10-5385394105
8(1AZEPANYLMETHYL)3(35DIMETHYLPHENOXY)6HEXYL7HYDROXY2(TRIFLUOROMETHYL)4HCHROMEN4ONE
8(AZAPERHYDROEPINYLMETHYL)3(35DIMETHYLPHENOXY)6HEXYL7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
8(azepan1ium1ylmethyl)3(35dimethylphenoxy)6hexyl4oxo2(trifluoromethyl)chromen7olate
8(azepan1ylmethyl)3(35dimethylphenoxy)6hexyl7hydroxy2(trifluoromethyl)4Hchromen4one
8(AZEPAN1YLMETHYL)3(35DIMETHYLPHENOXY)6HEXYL7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
CCCCCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)C(NH+)4CCCCCC4)(O)
InChI=1SC31H38F3NO4c145691222182427(37)29(38231620(2)1521(3)1723)30(31(3233)34)3928(24)25(26(22)36)1935131078111435h151836H41419H213H3
MFCD02348317
ZINC000004289785
ZINC4289785
Check stock
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Check stock on Vitas-MAvailable files
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