Vitas-M small molecule compound

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

Catalog ID
STK594469
SMILES CCCC[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(c(c1)OC)OC)C(F)(F)F)C

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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 C24H26F3NO5 MW 465.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26F3NO5/c1-5-6-11-28(2)13-16-17(29)9-8-15-21(30)20(23(24(25,26)27)33-22(15)16)14-7-10-18(31-3)19(12-14)32-4/h7-10,12,29H,5-6,11,13H2,1-4H3
InChIKey
UXUITPMLYGDMKA-UHFFFAOYSA-N
Synonyms
307534-98-1
3(34DIMETHOXYPHENYL)8((BUTYLMETHYLAMINO)METHYL)7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
307534981
8((BUTYL(METHYL)AMINO)METHYL)3(34DIMETHOXYPHENYL)7HYDROXY2(TRIFLUOROMETHYL)4HCHROMEN4ONE
8((BUTYL(METHYL)AMINO)METHYL)3(34DIMETHOXYPHENYL)7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
8((butyl(methyl)ammonio)methyl)3(34dimethoxyphenyl)4oxo2(trifluoromethyl)4Hchromen7olate
8((butyl(methyl)azaniumyl)methyl)3(34dimethoxyphenyl)4oxo2(trifluoromethyl)chromen7olate
CCCC(NH+)(C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC(=C(C=C3)OC)OC)C(F)(F)F)(O)
CCCC(NH+)(Cc1c((O))ccc2c1oc(c(c2=O)c1ccc(c(c1)OC)OC)C(F)(F)F)C
InChI=1SC24H26F3NO5c1561128(2)131617(29)981521(30)20(23(24(2526)27)3322(15)16)1471018(313)19(1214)324h7101229H561113H214H3
MFCD02332666
ZINC000001768209
ZINC1768209

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.