Methyl 2-Amino-4-[2-[4-[4-(2-Methoxyphenyl)Piperazin-1-Yl]Butylsulfinyl]Phenyl]-6-Methyl-5-Nitro-1,4-Dihydropyridine-3-Carboxylate
[CAS# 140941-86-2]

Identification

• Name: Methyl 2-Amino-4-[2-[4-[4-(2-Methoxyphenyl)Piperazin-1-Yl]Butylsulfinyl]Phenyl]-6-Methyl-5-Nitro-1,4-Dihydropyridine-3-Carboxylate
• Synonyms: 2-Amino-4-[2-[4-[4-(2-Methoxyphenyl)-1-Piperazinyl]Butylsulfinyl]Phenyl]-6-Methyl-5-Nitro-1,4-Dihydropyridine-3-Carboxylic Acid Methyl Ester; 2-Amino-4-[2-[4-[4-(2-Methoxyphenyl)Piperazin-1-Yl]Butylsulfinyl]Phenyl]-6-Methyl-5-Nitro-1,4-Dihydropyridine-3-Carboxylic Acid Methyl Ester; 2-Amino-1,4-Dihydro-4-(2-(4-(4-(2-Methoxyphenyl)-1-Piperazinyl)Butylsulfinyl)Phenyl)-6-Methyl-5-Nitro-3-Pyridinecarboxylic Acid Methyl Ester
• Molecular Formula: C₂₉H₃₇N₅O₆S
• Molecular Weight: 583.70
• CAS Registry Number: 140941-86-2
• SMILES: C1=CC=CC(=C1C2C(=C(NC(=C2[N+]([O-])=O)C)N)C(OC)=O)[S](=O)CCCCN4CCN(C3=CC=CC=C3OC)CC4
• InChI: 1S/C29H37N5O6S/c1-20-27(34(36)37)25(26(28(30)31-20)29(35)40-3)21-10-4-7-13-24(21)41(38)19-9-8-14-32-15-17-33(18-16-32)22-11-5-6-12-23(22)39-2/h4-7,10-13,25,31H,8-9,14-19,30H2,1-3H3
• InChIKey: JQTJGLURUUNKCA-UHFFFAOYSA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 780.258°C at 760 mmHg (Cal.)
• Flash point: 425.685°C (Cal.)