Vitas-M small molecule compound

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

Catalog ID
STL049397
SMILES CCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCN(CC1)CC)[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 C26H27F3N2O6 MW 520.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27F3N2O6/c1-3-30-11-13-31(14-12-30)15-19-20(32)10-9-18-21(33)23(24(26(27,28)29)37-22(18)19)36-17-7-5-16(6-8-17)25(34)35-4-2/h5-10,32H,3-4,11-15H2,1-2H3
InChIKey
DKRQGUYPSANRGE-UHFFFAOYSA-N
Synonyms
846585-57-7
3(4(ethoxycarbonyl)phenoxy)8((4ethylpiperazin1ium1yl)methyl)4oxo2(trifluoromethyl)4Hchromen7olate
CCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C(NH+)1CCN(CC1)CC)(O)

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Available files

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