Products 2649788-45-2

CAS 2649788-45-2 is the registry number for KRAS G12C inhibitor 18. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

4-[(13aS)-10-chloro-8-fluoro-6-oxo-2-prop-2-enoyl-1,3,4,12,13,13a-hexahydropyrazino[2,1-d][1,5]benzoxazocin-9-yl]-2-amino-1-benzothiophene-3-carbonitrile (CAS 2649788-45-2) is a chemical compound with the molecular formula C25H20ClFN4O3S and a molecular weight of 511.0 g/mol. IUPAC name: 4-[(13aS)-10-chloro-8-fluoro-6-oxo-2-prop-2-enoyl-1,3,4,12,13,13a-hexahydropyrazino[2,1-d][1,5]benzoxazocin-9-yl]-2-amino-1-benzothiophene-3-carbonitrile. InChIKey: FLOCSULDJZSEOQ-ZDUSSCGKSA-N.

Identity
Molecular formulaC25H20ClFN4O3S
Molecular weight511.0 g/mol
IUPAC name4-[(13aS)-10-chloro-8-fluoro-6-oxo-2-prop-2-enoyl-1,3,4,12,13,13a-hexahydropyrazino[2,1-d][1,5]benzoxazocin-9-yl]-2-amino-1-benzothiophene-3-carbonitrile
InChIKeyFLOCSULDJZSEOQ-ZDUSSCGKSA-N
SMILESC=CC(=O)N1CCN2[C@H](C1)CCOC3=C(C(=C(C=C3C2=O)F)C4=C5C(=CC=C4)SC(=C5C#N)N)Cl

Computed by PubChem (NCBI)