Products 2042211-12-9

CAS 2042211-12-9 is the registry number for Mcl1-IN-12. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

N-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide (CAS 2042211-12-9) is a chemical compound with the molecular formula C45H46N4O6S2 and a molecular weight of 803.0 g/mol. IUPAC name: N-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide. InChIKey: PVBCFXWUROOQLS-UHFFFAOYSA-N.

Identity
Molecular formulaC45H46N4O6S2
Molecular weight803.0 g/mol
IUPAC nameN-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
InChIKeyPVBCFXWUROOQLS-UHFFFAOYSA-N
SMILESCC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-])C(CCC2(C)C)(C)C

Computed by PubChem (NCBI)

Synonyms: Mcl1-IN-12, orb1709171