Vitas-M small molecule compound

2-{4-[3-(trifluoromethyl)phenoxy]quinazolin-1-ium-2-yl}phenolate

Catalog ID
STL051769
SMILES [O-]c1ccccc1c1nc(Oc2cccc(c2)C(F)(F)F)c2c([nH+]1)cccc2

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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 C21H13F3N2O2 MW 382.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13F3N2O2/c22-21(23,24)13-6-5-7-14(12-13)28-20-15-8-1-3-10-17(15)25-19(26-20)16-9-2-4-11-18(16)27/h1-12,27H
InChIKey
BZAGYGVYUZIXSA-UHFFFAOYSA-N
Synonyms
848735-76-2
(O)c1ccccc1c1nc(Oc2cccc(c2)C(F)(F)F)c2c((nH+)1)cccc2
2(4(3(trifluoromethyl)phenoxy)quinazolin1ium2yl)phenolate
848735762
MFCD04194482
ZINC000005254233

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Available files

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