N-((4-((((S)-1,4-Dioxan-2-yl)methyl)amino)-3-nitrophenyl)sulfonyl)-2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-((R)-4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)-3-methylpiperazin-1-yl)benzamide, 95%

cas: 2760536-87-4 — see every product listed under this CAS number, including other names

N-((4-((((S)-1,4-Dioxan-2-yl)methyl)amino)-3-nitrophenyl)sulfonyl)-2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-((R)-4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)-3-methylpiperazin-1-yl)benzamide, 95% (CAS 2760536-87-4) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg. Offered by: BLDpharm.

• 2D
• 3D

4-[(3R)-4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3-methylpiperazin-1-yl]-N-[4-[[(2S)-1,4-dioxan-2-yl]methylamino]-3-nitrophenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide (CAS 2760536-87-4) is a chemical compound with the molecular formula C45H50ClN7O8S and a molecular weight of 884.4 g/mol. IUPAC name: 4-[(3R)-4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3-methylpiperazin-1-yl]-N-[4-[[(2S)-1,4-dioxan-2-yl]methylamino]-3-nitrophenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide. InChIKey: ARUYPVNOVRMSCP-ZADIWHOSSA-N.

Identity

Molecular formula	C45H50ClN7O8S
Molecular weight	884.4 g/mol
IUPAC name	4-[(3R)-4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3-methylpiperazin-1-yl]-N-[4-[[(2S)-1,4-dioxan-2-yl]methylamino]-3-nitrophenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
InChIKey	ARUYPVNOVRMSCP-ZADIWHOSSA-N
SMILES	C[C@@H]1CN(CCN1CC2=C(CC(CC2)(C)C)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NC[C@H]6COCCO6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8

Computed by PubChem (NCBI)

Synonyms: Mesutoclax, mesutoclax [INN], orb3135710

Isomers (same molecular formula)

4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-4-oxidopiperazin-4-ium-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide C₄₅H₅₀ClN₇O₈S