Vitas-M small molecule compound

8-{[bis(2-methoxyethyl)ammonio]methyl}-3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate

Catalog ID
STK579496
SMILES COCC[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(c(c1)OC)OC)C(F)(F)F)CCOC

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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 C25H28F3NO7 MW 511.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28F3NO7/c1-32-11-9-29(10-12-33-2)14-17-18(30)7-6-16-22(31)21(24(25(26,27)28)36-23(16)17)15-5-8-19(34-3)20(13-15)35-4/h5-8,13,30H,9-12,14H2,1-4H3
InChIKey
VVOZKHBMHARLFO-UHFFFAOYSA-N
Synonyms
307534-99-2
307534992
8((BIS(2METHOXYETHYL)AMINO)METHYL)3(34DIMETHOXYPHENYL)7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
8((bis(2methoxyethyl)ammonio)methyl)3(34dimethoxyphenyl)4oxo2(trifluoromethyl)4Hchromen7olate
COCC(NH+)(Cc1c((O))ccc2c1oc(c(c2=O)c1ccc(c(c1)OC)OC)C(F)(F)F)CCOC
COCCN(CCOC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC(=C(C=C3)OC)OC)C(F)(F)F)O
InChI=1SC25H28F3NO7c13211929(1012332)141718(30)761622(31)21(24(25(2627)28)3623(16)17)155819(343)20(1315)354h581330H91214H214H3
MFCD02332667
ZINC000054201926
ZINC54201926

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Available files

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