1H-1,2,4-Triazole-1-butanenitrile, β-(2,5-difluorophenyl)-β-hydroxy-α-methyl-, (αR,βS)-rel-, 98%

cas: 1286729-93-8 — see every product listed under this CAS number, including other names

1H-1,2,4-Triazole-1-butanenitrile, β-(2,5-difluorophenyl)-β-hydroxy-α-methyl-, (αR,βS)-rel-, 98% (CAS 1286729-93-8) is a chemical reagent available from Chemat. Available pack sizes: 1g. Offered by: AmBeed.

• 2D
• 3D

(2R,3S)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile (CAS 1286729-93-8) is a chemical compound with the molecular formula C13H12F2N4O and a molecular weight of 278.26 g/mol. IUPAC name: (2R,3S)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile. InChIKey: SYSUFNUKZJVPBI-RNCFNFMXSA-N.

Identity

Molecular formula	C13H12F2N4O
Molecular weight	278.26 g/mol
IUPAC name	(2R,3S)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile
InChIKey	SYSUFNUKZJVPBI-RNCFNFMXSA-N
SMILES	C[C@H](C#N)[C@@](CN1C=NC=N1)(C2=C(C=CC(=C2)F)F)O

Computed by PubChem (NCBI)

Synonyms: Isavuconazole Impurity 64, Isavuconazole Impurity 1

Related forms of this compound

(2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile C₁₃H₁₂F₂N₄O

(2S,3S)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile C₁₃H₁₂F₂N₄O

(2R,3S)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile C₁₃H₁₂F₂N₄O

(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile C₁₃H₁₂F₂N₄O

3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile C₁₃H₁₂F₂N₄O

Isomers (same molecular formula)

(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile C₁₃H₁₂F₂N₄O