Vitas-M small molecule compound

3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate

Catalog ID
STK588568
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(c(c1)OC)OC)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 C25H27F3N2O5 MW 492.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27F3N2O5/c1-4-29-9-11-30(12-10-29)14-17-18(31)7-6-16-22(32)21(24(25(26,27)28)35-23(16)17)15-5-8-19(33-2)20(13-15)34-3/h5-8,13,31H,4,9-12,14H2,1-3H3
InChIKey
WFJCANPJJSXSAA-UHFFFAOYSA-N
Synonyms
307535-09-7
3(34dimethoxyphenyl)8((4ethylpiperazin1ium1yl)methyl)4oxo2(trifluoromethyl)4Hchromen7olate
3(34DIMETHOXYPHENYL)8((4ETHYLPIPERAZIN1YL)METHYL)7HYDROXY2(TRIFLUOROMETHYL)4HCHROMEN4ONE
3(34DIMETHOXYPHENYL)8((4ETHYLPIPERAZIN1YL)METHYL)7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
3(34DIMETHOXYPHENYL)8((4ETHYLPIPERAZINYL)METHYL)7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
307535097
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1oc(c(c2=O)c1ccc(c(c1)OC)OC)C(F)(F)F
CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=C(C=C4)OC)OC)C(F)(F)F)O
InChI=1SC25H27F3N2O5c142991130(121029)141718(31)761622(32)21(24(25(2627)28)3523(16)17)155819(332)20(1315)343h581331H491214H213H3
MFCD02332673
ZINC000019791708
ZINC19791708

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Available files

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