Vitas-M small molecule compound
3-(3-methylphenoxy)-8-[(2-methylpiperidinium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Catalog ID
STK853049
SMILES Cc1cccc(c1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCCCC1C)[O-]
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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 C24H24F3NO4 MW 447.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24F3NO4/c1-14-6-5-8-16(12-14)31-22-20(30)17-9-10-19(29)18(13-28-11-4-3-7-15(28)2)21(17)32-23(22)24(25,26)27/h5-6,8-10,12,15,29H,3-4,7,11,13H2,1-2H3InChIKey
FGHLSHCVMZJNMM-UHFFFAOYSA-NSynonyms
459152-64-83(3methylphenoxy)8((2methylpiperidin1ium1yl)methyl)4oxo2(trifluoromethyl)chromen7olate
3(3methylphenoxy)8((2methylpiperidinium1yl)methyl)4oxo2(trifluoromethyl)4Hchromen7olate
459152648
7HYDROXY3(3METHYLPHENOXY)8((2METHYLPIPERIDIN1YL)METHYL)2(TRIFLUOROMETHYL)CHROMEN4ONE
7HYDROXY3(3METHYLPHENOXY)8((2METHYLPIPERIDYL)METHYL)2(TRIFLUOROMETHYL)CHROMEN4ONE
Cc1cccc(c1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C(NH+)1CCCCC1C)(O)
CC1CCCC(NH+)1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC(=C4)C)C(F)(F)F)(O)
InChI=1SC24H24F3NO4c11465816(1214)312220(30)1791019(29)18(13281143715(28)2)21(17)3223(22)24(2526)27h56810121529H3471113H212H3
MFCD02348167
ZINC000019791547
ZINC000019791548
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