Products 2770108-93-3

CAS 2770108-93-3 is the registry number for YM458, 99.16%. Offered by: MedChemExpress. Available pack sizes: 1 mg, 5 mg, 10 mg.

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

5-[4-[5-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]pentoxy]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide (CAS 2770108-93-3) is a chemical compound with the molecular formula C53H61ClN8O5S and a molecular weight of 957.6 g/mol. IUPAC name: 5-[4-[5-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]pentoxy]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide. InChIKey: UOTPJXAROHNZGU-GWHBCOKCSA-N.

Identity
Molecular formulaC53H61ClN8O5S
Molecular weight957.6 g/mol
IUPAC name5-[4-[5-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]pentoxy]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
InChIKeyUOTPJXAROHNZGU-GWHBCOKCSA-N
SMILESCCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)OCCCCCNC(=O)C[C@H]5C6=NN=C(N6C7=C(C(=C(S7)C)C)C(=N5)C8=CC=C(C=C8)Cl)C

Computed by PubChem (NCBI)