Products 3094994-83-6

CAS 3094994-83-6 is the registry number for (2S,3S) isavuconazole. Offered by: Sigma-Aldrich. Available pack sizes: 25MG.

(2S,3S) isavuconazole
Sigma-Aldrich
  • size: 25MG
  • Variants: 1
from 6474.00
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Structural formula: {0} (CAS {1})

4-[2-[(2S,3S)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile (CAS 3094994-83-6) is a chemical compound with the molecular formula C22H17F2N5OS and a molecular weight of 437.5 g/mol. IUPAC name: 4-[2-[(2S,3S)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile. InChIKey: DDFOUSQFMYRUQK-PEBXRYMYSA-N.

Identity
Molecular formulaC22H17F2N5OS
Molecular weight437.5 g/mol
IUPAC name4-[2-[(2S,3S)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
InChIKeyDDFOUSQFMYRUQK-PEBXRYMYSA-N
SMILESC[C@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@@](CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O

Computed by PubChem (NCBI)

Synonyms: (S,S)-Isavuconazole, Isavuconazole Impurity 26, Isavuconazole Impurity C, Isavuconazole, (S,S)-
Related forms of this compound
4-[2-[(2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile C22H17F2N5OS
4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile C22H17F2N5OS
4-[2-[(2R,3S)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile C22H17F2N5OS
2,3,5,6-tetradeuterio-4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile C22H17F2N5OS
4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile C22H17F2N5OS
Isomers (same molecular formula)
2,3,5,6-tetradeuterio-4-[2-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile C22H17F2N5OS
4-[2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile C22H17F2N5OS