Analyte Name

(S,S)-Isavuconazole

CAS Number

3094994-83-6

Molecular Formula

C22H17F2N5OS

Molecular Weight

437.47

Accurate Mass

437.11

SMILES

O[C@]([C@]([H])(C)C1=NC(C2=CC=C(C#N)C=C2)=CS1)(CN3C=NC=N3)C4=CC(F)=CC=C4F

InChI

InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m1/s1

IUPAC

4-(2-((2S,3S)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile

Alternate CAS Number

241479-67-4 (RR-isomer)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat