Vitas-M small molecule compound

3-(3-methylphenoxy)-4-oxo-8-(piperidinium-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-7-olate

Catalog ID
STK848216
SMILES Cc1cccc(c1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCCCC1)[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 C23H22F3NO4 MW 433.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F3NO4/c1-14-6-5-7-15(12-14)30-21-19(29)16-8-9-18(28)17(13-27-10-3-2-4-11-27)20(16)31-22(21)23(24,25)26/h5-9,12,28H,2-4,10-11,13H2,1H3
InChIKey
JJCYRYOLVFFJQF-UHFFFAOYSA-N
Synonyms
347364-26-5
3(3methylphenoxy)4oxo8(piperidinium1ylmethyl)2(trifluoromethyl)4Hchromen7olate
347364265
7HYDROXY3(3METHYLPHENOXY)8(PIPERIDIN1YLMETHYL)2(TRIFLUOROMETHYL)CHROMEN4ONE
7HYDROXY3(3METHYLPHENOXY)8(PIPERIDYLMETHYL)2(TRIFLUOROMETHYL)CHROMEN4ONE
CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCC4)O)C(F)(F)F
Cc1cccc(c1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C(NH+)1CCCCC1)(O)
InChI=1SC23H22F3NO4c11465715(1214)302119(29)168918(28)17(1327103241127)20(16)3122(21)23(2425)26h591228H24101113H21H3
MFCD02333077
ZINC000019791776
ZINC19791776

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Available files

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