CI 21100

• CAT Number: I024650
• CAS Number: 5102-83-0
• Molecular Formula: C36H34Cl2N6O4
• Molecular Weight: 685.606
• Purity: 98%
• Synonyms: CI 21100; CI-21100; CI21100
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4℃ for short term (days to weeks) or -20℃ for long term (months to years).
• IUPAC Name: 2-[[2-chloro-4-[3-chloro-4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
• InChI: InChI=1S/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)/b43-41+,44-42+/t33-,34+
• InChIKey: IAFBRPFISOTXSO-DNTKMCMCSA-N
• SMILES: C([C@@H](N=Nc1c(cc(cc1)c1cc(Cl)c(N=N[C@@H](C(Nc2c(cc(cc2)C)C)=O)C(=O)C)cc1)Cl)C(=O)C)(Nc1c(cc(cc1)C)C)=O

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Reference

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