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Inhibitors/Agonists> 2-((1H-1,2,4-Triazol-1-yl)methyl)-4-(4-chlorophenyl)-2-phenylbutanenitrile-d5
For research use only. Not for therapeutic Use.
2-((1H-1,2,4-Triazol-1-yl)methyl)-4-(4-chlorophenyl)-2-phenylbutanenitrile-d5(Cat No.:I041454)is a deuterated compound where five hydrogen atoms are replaced with deuterium. This compound features a triazole ring, a chlorophenyl group, and a phenylbutanenitrile moiety, making it a useful target for pharmaceutical and biochemical research. The deuterium substitution enhances its utility in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry, providing higher accuracy in structural analysis and reaction mechanism studies. It is used in studies of drug interactions, metabolic pathways, and synthesis reactions, offering improved analytical sensitivity without altering the compound’s chemical behavior.
CAS Number | 1398066-06-2 |
Synonyms | 4-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile |
Molecular Formula | C19H12D5ClN4 |
Purity | ≥95% |
IUPAC Name | 4-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile |
InChI | InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2/i1D,2D,3D,4D,5D |
InChIKey | RQDJADAKIFFEKQ-RALIUCGRSA-N |
SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N)[2H])[2H] |