Vitas-M small molecule compound
8-{[benzyl(methyl)ammonio]methyl}-3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Catalog ID
STK590460
SMILES COc1cc(ccc1OC)c1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+](Cc1ccccc1)C)[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 C27H24F3NO5 MW 499.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24F3NO5/c1-31(14-16-7-5-4-6-8-16)15-19-20(32)11-10-18-24(33)23(26(27(28,29)30)36-25(18)19)17-9-12-21(34-2)22(13-17)35-3/h4-13,32H,14-15H2,1-3H3InChIKey
NZCDHQVDPHVNKD-UHFFFAOYSA-NSynonyms
307535-00-83(34DIMETHOXYPHENYL)7HYDROXY8((METHYLBENZYLAMINO)METHYL)2(TRIFLUOROMETHYL)CHROMEN4ONE
307535008
8((BENZYL(METHYL)AMINO)METHYL)3(34DIMETHOXYPHENYL)7HYDROXY2(TRIFLUOROMETHYL)4HCHROMEN4ONE
8((BENZYL(METHYL)AMINO)METHYL)3(34DIMETHOXYPHENYL)7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
8((benzyl(methyl)ammonio)methyl)3(34dimethoxyphenyl)4oxo2(trifluoromethyl)4Hchromen7olate
8((benzyl(methyl)azaniumyl)methyl)3(34dimethoxyphenyl)4oxo2(trifluoromethyl)chromen7olate
C(NH+)(CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=C(C=C4)OC)OC)C(F)(F)F)(O)
COc1cc(ccc1OC)c1c(=O)c2ccc(c(c2oc1C(F)(F)F)C(NH+)(Cc1ccccc1)C)(O)
InChI=1SC27H24F3NO5c131(14167546816)151920(32)11101824(33)23(26(27(2829)30)3625(18)19)1791221(342)22(1317)353h41332H1415H213H3
MFCD02166886
ZINC000000939994
ZINC939994
Check stock
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Check stock on Vitas-MAvailable files
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