Products 1990504-72-7

CAS 1990504-72-7 appears in our catalog under these names: Bomedemstat ditosylate/ 99.05% (existing batch purity), Bomedemstat ditosylate, Bomedemstat (ditosylate), 99.14%, Bomedemstat ditosylate, 99%, N-((S)-5-(((1R,2S)-2-(4-Fluorophenyl)cyclopropyl)amino)-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl)-4-(1H-1,2,3-triazol-1-yl)benzamide bis(4-methylbenzenesulfonate), 99%. Offered by: TargetMol, GLPBio, MedChemExpress, Ambeed, BLDpharm. Available pack sizes: 1mg, 2mg, 5mg, 10mg, 25mg, 50mg, 100mg, 50 mg.

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

N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-4-(triazol-1-yl)benzamide;bis(4-methylbenzenesulfonic acid) (CAS 1990504-72-7) is a chemical compound with the molecular formula C42H50FN7O8S2 and a molecular weight of 864.0 g/mol. IUPAC name: N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-4-(triazol-1-yl)benzamide;bis(4-methylbenzenesulfonic acid). InChIKey: WLRWBXFBIJMKHG-DVNXTAPYSA-N.

Identity
Molecular formulaC42H50FN7O8S2
Molecular weight864.0 g/mol
IUPAC nameN-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-4-(triazol-1-yl)benzamide;bis(4-methylbenzenesulfonic acid)
InChIKeyWLRWBXFBIJMKHG-DVNXTAPYSA-N
SMILESCC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]2C[C@H]2C3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)N5C=CN=N5

Computed by PubChem (NCBI)