3-[[6-Bromo-3-(3-Hydroxy-4-Methoxycarbonylphenyl)-4-Oxoquinazolin-2-Yl]Methylsulfanyl]Propanoic Acid
[CAS# 155104-14-6]

Identification

• Name: 3-[[6-Bromo-3-(3-Hydroxy-4-Methoxycarbonylphenyl)-4-Oxoquinazolin-2-Yl]Methylsulfanyl]Propanoic Acid
• Synonyms: 3-[[6-Bromo-3-(3-Hydroxy-4-Methoxycarbonyl-Phenyl)-4-Oxo-Quinazolin-2-Yl]Methylsulfanyl]Propanoic Acid; 3-[[6-Bromo-3-(3-Hydroxy-4-Methoxycarbonylphenyl)-4-Oxo-2-Quinazolinyl]Methylthio]Propanoic Acid; 3-[[6-Bromo-3-(4-Carbomethoxy-3-Hydroxy-Phenyl)-4-Keto-Quinazolin-2-Yl]Methylthio]Propionic Acid
• Molecular Formula: C₂₀H₁₇BrN₂O₆S
• Molecular Weight: 493.33
• CAS Registry Number: 155104-14-6
• SMILES: C2=C1C(=O)N(C(=NC1=CC=C2Br)CSCCC(=O)O)C3=CC(=C(C=C3)C(OC)=O)O
• InChI: 1S/C20H17BrN2O6S/c1-29-20(28)13-4-3-12(9-16(13)24)23-17(10-30-7-6-18(25)26)22-15-5-2-11(21)8-14(15)19(23)27/h2-5,8-9,24H,6-7,10H2,1H3,(H,25,26)
• InChIKey: MWKULZQHDOFDKW-UHFFFAOYSA-N

Properties

• Density: 1.626g/cm³ (Cal.)
• Boiling point: 708.934°C at 760 mmHg (Cal.)
• Flash point: 382.549°C (Cal.)