Vitas-M small molecule compound

3-(4-chlorophenyl)-8-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate

Catalog ID
STK592161
SMILES CC1C[NH+](CC(O1)C)Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(cc1)Cl)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 C23H21ClF3NO4 MW 467.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClF3NO4/c1-12-9-28(10-13(2)31-12)11-17-18(29)8-7-16-20(30)19(14-3-5-15(24)6-4-14)22(23(25,26)27)32-21(16)17/h3-8,12-13,29H,9-11H2,1-2H3
InChIKey
AENRHFJPARHXSA-UHFFFAOYSA-N
Synonyms
459413-34-4
3(4chlorophenyl)8((26dimethylmorpholin4ium4yl)methyl)4oxo2(trifluoromethyl)4Hchromen7olate
3(4CHLOROPHENYL)8((26DIMETHYLMORPHOLIN4YL)METHYL)7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
459413344
8((26DIMETHYLMORPHOLIN4YL)METHYL)3(4CHLOROPHENYL)7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
CC1C(NH+)(CC(O1)C)Cc1c((O))ccc2c1oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F
CC1CN(CC(O1)C)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Cl)C(F)(F)F)O
InChI=1SC23H21ClF3NO4c112928(1013(2)3112)111718(29)871620(30)19(143515(24)6414)22(23(2526)27)3221(16)17h38121329H911H212H3
MFCD02358805
ZINC000013563194
ZINC000019791826

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Available files

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