VCL-B (Venetoclax Impurity B)

Analyte Name

VCL-B (Venetoclax Impurity B)

Molecular Formula

C39 H40 Cl N7 O6 S

Molecular Weight

770.296

Accurate Mass

769.245

SMILES

CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3)c4ccc(C(=O)NS(=O)(=O)c5ccc(N)c(c5)N(=O)=O)c(Oc6cnc7[nH]ccc7c6)c4

InChI

InChI=1S/C39H40ClN7O6S/c1-39(2)13-11-27(33(22-39)25-3-5-28(40)6-4-25)24-45-15-17-46(18-16-45)29-7-9-32(36(20-29)53-30-19-26-12-14-42-37(26)43-23-30)38(48)44-54(51,52)31-8-10-34(41)35(21-31)47(49)50/h3-10,12,14,19-21,23H,11,13,15-18,22,24,41H2,1-2H3,(H,42,43)(H,44,48)

IUPAC

N-(4-amino-3-nitrophenyl)sulfonyl-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat