2-[[3-Ethyl-5-[(3-Ethyl-4,5-Diphenyl-(3H)-Thiazol-2-Ylidene)Ethylidene]-4-Oxothiazolidin-2-Ylidene]Methyl]-4-Methyl-1-(4-Sulphonatobutyl)Pyrimido[1,2-a]Benzimidazolium
[CAS# 68758-82-7]

Identification

• Name: 2-[[3-Ethyl-5-[(3-Ethyl-4,5-Diphenyl-(3H)-Thiazol-2-Ylidene)Ethylidene]-4-Oxothiazolidin-2-Ylidene]Methyl]-4-Methyl-1-(4-Sulphonatobutyl)Pyrimido[1,2-a]Benzimidazolium
• Synonyms: 4-[(2E)-2-[[(5Z)-3-Ethyl-5-[(2E)-2-[3-Ethyl-4,5-Di(Phenyl)Thiazol-2-Ylidene]Ethylidene]-4-Oxo-Thiazol-3-Ium-2-Yl]Methylene]-4-Methyl-Pyrimido[3,2-A]Benzimidazol-1-Yl]Butane-1-Sulfonate; 4-[(2E)-2-[[(5Z)-3-Ethyl-5-[(2E)-2-[3-Ethyl-4,5-Di(Phenyl)-2-Thiazolylidene]Ethylidene]-4-Oxo-2-Thiazol-3-Iumyl]Methylene]-4-Methyl-1-Pyrimido[3,2-A]Benzimidazolyl]Butane-1-Sulfonate; 4-[(2E)-2-[[(5Z)-3-Ethyl-5-[(2E)-2-[3-Ethyl-4,5-Di(Phenyl)Thiazol-2-Ylidene]Ethylidene]-4-Keto-Thiazol-3-Ium-2-Yl]Methylene]-4-Methyl-Pyrimido[3,2-A]Benzimidazol-1-Yl]Butane-1-Sulfonate
• Molecular Formula: C₄₀H₃₉N₅O₄S₃
• Molecular Weight: 749.96
• CAS Registry Number: 68758-82-7
• EINECS: 272-158-0
• SMILES: C2=C1[N]3C(=NC1=CC=C2)[N+](=C(C=C3C)C=C4SC(/C(=O)N4CC)=C\C=C/5SC(=C(N5CC)C6=CC=CC=C6)C7=CC=CC=C7)CCCC[S]([O-])(=O)=O
• InChI: 1S/C40H39N5O4S3/c1-4-42-35(51-38(30-18-10-7-11-19-30)37(42)29-16-8-6-9-17-29)23-22-34-39(46)43(5-2)36(50-34)27-31-26-28(3)45-33-21-13-12-20-32(33)41-40(45)44(31)24-14-15-25-52(47,48)49/h6-13,16-23,26-27H,4-5,14-15,24-25H2,1-3H3/b34-22-,35-23+
• InChIKey: RHXQESJHWBVUGY-ZPKHGHSISA-N