Description

This high-purity chemical compound is a complex mixture of five distinct enamide derivatives, each featuring a cyano and phenylethylamide functional group. The molecular formula C₉₉H₈₉BrCl₃F₃N₁₂O₉ represents a carefully controlled composition with bromopyridinyl, trifluoromethylphenyl, dichlorophenyl, dimethoxyphenyl acetate, and piperidinylphenyl substituents. With CAS RN 17805-19-5, this product is supplied as a research-grade material suitable for pharmaceutical development, medicinal chemistry studies, and advanced organic synthesis. The compound’s unique structural features make it particularly valuable for investigating structure-activity relationships in drug discovery programs. Each batch undergoes rigorous QC analysis including HPLC, NMR, and mass spectrometry to ensure consistency and purity for your research needs.

Properties

• CAS Number: 17805-19-5
• Complexity: 2720
• IUPAC Name: 3-(6-bromo-2-pyridyl)-2-cyano-N-(1-phenylethyl)prop-2-enamide;3-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyano-N-(1-phenylethyl)prop-2-enamide;2-cyano-3-(3,4-dichlorophenyl)-N-(1-phenylethyl)prop-2-enamide;[4-[2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]-2,6-dimethoxy-phenyl] acetate;2-cyano-N-(1-phenylethyl)-3-[4-(1-piperidyl)phenyl]prop-2-enamide
• InChI: InChI=1S/C23H25N3O.C22H22N2O5.C19H14ClF3N2O.C18H14Cl2N2O.C17H14BrN3O/c1-18(20-8-4-2-5-9-20)25-23(27)21(17-24)16-19-10-12-22(13-11-19)26-14-6-3-7-15-26;1-14(17-8-6-5-7-9-17)24-22(26)18(13-23)10-16-11-19(27-3)21(29-15(2)25)20(12-16)28-4;1-12(14-5-3-2-4-6-14)25-18(26)15(11-24)7-13-8-16(19(21,22)23)10-17(20)9-13;1-12(14-5-3-2-4-6-14)22-18(23)15(11-21)9-13-7-8-16(19)17(20)10-13;1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2,4-5,8-13,16,18H,3,6-7,14-15H2,1H3,(H,25,27);5-12,14H,1-4H3,(H,24,26);2-10,12H,1H3,(H,25,26);2-10,12H,1H3,(H,22,23);2-10,12H,1H3,(H,20,22)
• InChI Key: YIVPMWFCOJUAFW-UHFFFAOYSA-N
• Exact Mass: 1831.51101
• Molecular Formula: C99H89BrCl3F3N12O9
• Molecular Weight: 1834.1
• SMILES: CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)N3CCCCC3)C#N.CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)Cl)Cl)C#N.CC(C1=CC=CC=C1)NC(=O)C(=CC2=NC(=CC=C2)Br)C#N.CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=CC(=C2)Cl)C(F)(F)F)C#N.CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=C(C(=C2)OC)OC(=O)C)OC)C#N
• Topological: 325
• Monoisotopic Mass: 1830.50765
• Synonyms: 17805-19-5, YIVPMWFCOJUAFW-UHFFFAOYSA-N

Application

This multi-component enamide system serves as a valuable scaffold in medicinal chemistry research, particularly for developing kinase inhibitors or GPCR modulators. The diverse aromatic substitutions allow for structure-activity relationship studies in drug discovery programs. Researchers utilize this compound as a building block for creating targeted therapeutics in oncology and CNS disorders. The bromopyridine and trifluoromethyl components make it especially useful for PET tracer development.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.