Analyte Name

ITK Antagonist

CAS Number

1149753-56-9

Molecular Formula

C26 H34 N6 O2 S

Molecular Weight

494.652

Accurate Mass

494.246

SMILES

C[C@H](NCc1ccc2c(c1)nc(NC(=O)c3ccc(s3)c4cn[nH]c4)n2CC(C)(C)O)C(C)(C)C

InChI

InChI=1S/C26H34N6O2S/c1-16(25(2,3)4)27-12-17-7-8-20-19(11-17)30-24(32(20)15-26(5,6)34)31-23(33)22-10-9-21(35-22)18-13-28-29-14-18/h7-11,13-14,16,27,34H,12,15H2,1-6H3,(H,28,29)(H,30,31,33)/t16-/m0/s1

IUPAC

N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat