Products 2412506-53-5

CAS 2412506-53-5 appears in our catalog under these names: Venetoclax Impurity 9, VCL-F (Venetoclax impurity). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 50mg.

Venetoclax Impurity 9
Chemat Brand
  • size: on request
  • Variants: 1
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VCL-F (Venetoclax impurity)
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

4-[4-[[2-[4-[4-[5,5-dimethyl-2-[[4-[4-[[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonylcarbamoyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]piperazin-1-yl]methyl]cyclohexen-1-yl]phenyl]phenyl]-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide (CAS 2412506-53-5) is a chemical compound with the molecular formula C90H100N14O14S2 and a molecular weight of 1666.0 g/mol. IUPAC name: 4-[4-[[2-[4-[4-[5,5-dimethyl-2-[[4-[4-[[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonylcarbamoyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]piperazin-1-yl]methyl]cyclohexen-1-yl]phenyl]phenyl]-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide. InChIKey: MYMDYFXAFSFLRB-UHFFFAOYSA-N.

Identity
Molecular formulaC90H100N14O14S2
Molecular weight1666.0 g/mol
IUPAC name4-[4-[[2-[4-[4-[5,5-dimethyl-2-[[4-[4-[[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonylcarbamoyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]piperazin-1-yl]methyl]cyclohexen-1-yl]phenyl]phenyl]-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
InChIKeyMYMDYFXAFSFLRB-UHFFFAOYSA-N
SMILESCC1(CCC(=C(C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=C(CCC(C4)(C)C)CN5CCN(CC5)C6=CC(=C(C=C6)C(=O)NS(=O)(=O)C7=CC(=C(C=C7)NCC8CCOCC8)[N+](=O)[O-])OC9=CN=C1C(=C9)C=CN1)CN1CCN(CC1)C1=CC(=C(C=C1)C(=O)NS(=O)(=O)C1=CC(=C(C=C1)NCC1CCOCC1)[N+](=O)[O-])OC1=CN=C2C(=C1)C=CN2)C

Computed by PubChem (NCBI)

Synonyms: VCL-F (Venetoclax impurity)