Products 1504558-72-8

CAS 1504558-72-8 is the registry number for Nec-3a. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

1-[(3S,3aS)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]-2-hydroxyethanone (CAS 1504558-72-8) is a chemical compound with the molecular formula C21H18F4N2O4 and a molecular weight of 438.4 g/mol. IUPAC name: 1-[(3S,3aS)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]-2-hydroxyethanone. InChIKey: RPGVJSZQQKMKSB-JLTOFOAXSA-N.

Identity
Molecular formulaC21H18F4N2O4
Molecular weight438.4 g/mol
IUPAC name1-[(3S,3aS)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]-2-hydroxyethanone
InChIKeyRPGVJSZQQKMKSB-JLTOFOAXSA-N
SMILESCOC1=CC2=C(CC[C@@H]3C2=NN([C@@H]3C4=CC(=C(C=C4)OC(F)(F)F)F)C(=O)CO)C=C1

Computed by PubChem (NCBI)

Synonyms: Nec-3a, 4iti, orb1744100