Vitas-M small molecule compound

3-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1,2,3-benzotriazin-4(3H)-one

Catalog ID
STK591561
SMILES O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)CCCn1nnc2c(c1=O)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 C22H22F3N5O2 MW 445.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N5O2/c23-22(24,25)16-5-3-6-17(15-16)28-11-13-29(14-12-28)20(31)9-4-10-30-21(32)18-7-1-2-8-19(18)26-27-30/h1-3,5-8,15H,4,9-14H2
InChIKey
HQKWIZLSIQYCRR-UHFFFAOYSA-N
Synonyms
900264-50-8
3(4oxo4(4(3(trifluoromethyl)phenyl)piperazin1yl)butyl)123benzotriazin4(3H)one
3(4OXO4(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)BUTYL)123BENZOTRIAZIN4ONE
3(4oxo4(4(3(trifluoromethyl)phenyl)piperazin1yl)butyl)benzo(d)(123)triazin4(3H)one
900264508
C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3
InChI=1SC22H22F3N5O2c2322(2425)1653617(1516)28111329(141228)20(31)94103021(32)18712819(18)262730h135815H4914H2
MFCD06773583
ZINC000009579921
ZINC09579921
ZINC9579921

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Available files

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