5,6-Dihydro-5-Methyl-6-Oxo-4H-Imidazo[1,5-A]Thieno[2,3-F][1,4]Diazepine-3-Carboxylic Acid 1,1-Dimethylethyl Ester
[CAS 99632-94-7]

Identification

• Name: 5,6-Dihydro-5-Methyl-6-Oxo-4H-Imidazo[1,5-A]Thieno[2,3-F][1,4]Diazepine-3-Carboxylic Acid 1,1-Dimethylethyl Ester
• Synonyms: C13716; Ro19-4603; Pdsp1_001769
• Molecular Formula: C₁₅H₁₇N₃O₃S
• Molecular Weight: 319.38
• CAS Registry Number: 99632-94-7
• SMILES: C1=NC(=C2CN(C)C(C3=C([N]12)C=CS3)=O)C(=O)OC(C)(C)C
• InChI: 1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3
• InChIKey: ZIGMMUKDYCABPW-UHFFFAOYSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 537.677°C at 760 mmHg (Cal.)
• Flash point: 278.977°C (Cal.)
• solubility: Soluble to 100 mM in ethanol and to 100 mM in DMSO