Vitas-M small molecule compound

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

Catalog ID
STK595864
SMILES CCC(n1nnc2c(c1=O)cccc2)C(=O)N1CCN(CC1)c1cccc(c1)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 C22H22F3N5O2 MW 445.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N5O2/c1-2-19(30-20(31)17-8-3-4-9-18(17)26-27-30)21(32)29-12-10-28(11-13-29)16-7-5-6-15(14-16)22(23,24)25/h3-9,14,19H,2,10-13H2,1H3
InChIKey
JAPQAJORIFRQCX-UHFFFAOYSA-N
Synonyms
900884-94-8
3(1oxo1(4(3(trifluoromethyl)phenyl)piperazin1yl)butan2yl)123benzotriazin4(3H)one
3(1OXO1(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)BUTAN2YL)123BENZOTRIAZIN4ONE
3(1oxo1(4(3(trifluoromethyl)phenyl)piperazin1yl)butan2yl)benzo(d)(123)triazin4(3H)one
900884948
CCC(C(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)N3C(=O)C4=CC=CC=C4N=N3
InChI=1SC22H22F3N5O2c1219(3020(31)17834918(17)262730)21(32)29121028(111329)1675615(1416)22(2324)25h391419H21013H21H3
MFCD06777835
ZINC000009487604
ZINC000009487606

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Available files

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