Analyte Name

VNL5-FBS (N-Des(4-methyltetrahydro-2H-pyran) Venetoclax Impurity)

Molecular Formula

C46 H48 Cl N8 O6 S

Molecular Weight

876.441

Accurate Mass

875.31

SMILES

C[N+](=C1C=CN(C=C1)c2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3Oc4cnc5[nH]ccc5c4)N6CCN(CC7=C(CC(C)(C)CC7)c8ccc(Cl)cc8)CC6)C

InChI

InChI=1S/C46H47ClN8O6S/c1-46(2)17-13-33(40(28-46)31-5-7-34(47)8-6-31)30-52-21-23-53(24-22-52)36-9-11-39(43(26-36)61-37-25-32-14-18-48-44(32)49-29-37)45(56)50-62(59,60)38-10-12-41(42(27-38)55(57)58)54-19-15-35(16-20-54)51(3)4/h5-12,14-16,18-20,25-27,29H,13,17,21-24,28,30H2,1-4H3,(H-,48,49,50,56)/p+1

IUPAC

[1-[4-[[4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoyl]sulfamoyl]-2-nitrophenyl]pyridin-4-ylidene]-dimethylazanium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat