Vitas-M small molecule compound
3-(4-methoxyphenoxy)-4-oxo-8-(piperidinium-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-7-olate
Catalog ID
STK853271
SMILES COc1ccc(cc1)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 C23H22F3NO5 MW 449.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F3NO5/c1-30-14-5-7-15(8-6-14)31-21-19(29)16-9-10-18(28)17(13-27-11-3-2-4-12-27)20(16)32-22(21)23(24,25)26/h5-10,28H,2-4,11-13H2,1H3InChIKey
UIIICUBQSNGPEX-UHFFFAOYSA-NSynonyms
302952-70-13(4methoxyphenoxy)4oxo8(piperidin1ium1ylmethyl)2(trifluoromethyl)chromen7olate
3(4methoxyphenoxy)4oxo8(piperidinium1ylmethyl)2(trifluoromethyl)4Hchromen7olate
302952701
COC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C(NH+)4CCCCC4)(O))C(F)(F)F
COc1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C(NH+)1CCCCC1)(O)
InChI=1SC23H22F3NO5c130145715(8614)312119(29)1691018(28)17(1327113241227)20(16)3222(21)23(2425)26h51028H241113H21H3
MFCD02331952
ZINC000019789762
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