Products 2227445-31-8

CAS 2227445-31-8 appears in our catalog under these names: NaPi2b–IN–2, NaPi2b-IN-2, 99.02%, NaPi2b-IN-2, 98%. Offered by: GLPBio, MedChemExpress, Chemat. Available pack sizes: 1mg, 5mg, 10mM (in 1ml dmso), 1 mg, 10 mg, 10mM/1mL, 25 mg, 50 mg.

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

4-[2-[[3-[[3-[1-[4-chloro-3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]phenyl]methyl-pentan-3-ylamino]ethyl-methylamino]-4-oxobutanoic acid (CAS 2227445-31-8) is a chemical compound with the molecular formula C41H47ClF3N5O5S and a molecular weight of 814.4 g/mol. IUPAC name: 4-[2-[[3-[[3-[1-[4-chloro-3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]phenyl]methyl-pentan-3-ylamino]ethyl-methylamino]-4-oxobutanoic acid. InChIKey: IHCQIEZWVTZYDU-UHFFFAOYSA-N.

Identity
Molecular formulaC41H47ClF3N5O5S
Molecular weight814.4 g/mol
IUPAC name4-[2-[[3-[[3-[1-[4-chloro-3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]phenyl]methyl-pentan-3-ylamino]ethyl-methylamino]-4-oxobutanoic acid
InChIKeyIHCQIEZWVTZYDU-UHFFFAOYSA-N
SMILESCCC(CC)N(CCN(C)C(=O)CCC(=O)O)CC1=CC(=CC=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)(C)C)C(=O)C4=CN(N=C4)C5=CC(=C(C=C5)Cl)C(F)(F)F

Computed by PubChem (NCBI)

Synonyms: NaPi2b-IN-2, orb2278836