Vitas-M small molecule compound
8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-olate
Catalog ID
STK583633
SMILES CC1CCC[NH+](C1)Cc1c([O-])ccc2c1oc(c(c2=O)c1ccccc1)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 C23H22F3NO3 MW 417.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F3NO3/c1-14-6-5-11-27(12-14)13-17-18(28)10-9-16-20(29)19(15-7-3-2-4-8-15)22(23(24,25)26)30-21(16)17/h2-4,7-10,14,28H,5-6,11-13H2,1H3InChIKey
CEJHQXJNVXBZGW-UHFFFAOYSA-NSynonyms
847854-19-77HYDROXY8((3METHYLPIPERIDIN1YL)METHYL)3PHENYL2(TRIFLUOROMETHYL)CHROMEN4ONE
7HYDROXY8((3METHYLPIPERIDYL)METHYL)3PHENYL2(TRIFLUOROMETHYL)CHROMEN4ONE
8((3methylpiperidin1ium1yl)methyl)4oxo3phenyl2(trifluoromethyl)chromen7olate
8((3methylpiperidinium1yl)methyl)4oxo3phenyl2(trifluoromethyl)4Hchromen7olate
CC1CCC(NH+)(C1)Cc1c((O))ccc2c1oc(c(c2=O)c1ccccc1)C(F)(F)F
CC1CCC(NH+)(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)(O)
InChI=1SC23H22F3NO3c114651127(1214)131718(28)1091620(29)19(157324815)22(23(2425)26)3021(16)17h247101428H561113H21H3
MFCD04184996
ZINC000020412395
ZINC000020412397
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