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Methyl 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylate
For research use only. Not for therapeutic Use.
Methyl 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylate (Cat No.:C000711) is a complex chemical compound characterized by a thiazole ring substituted with a cyano group at position 3, a phenyl group with a 2-methylpropoxy substituent and a methyl thiazole-5-carboxylate group. Its intricate structure suggests potential applications in synthetic and medicinal chemistry. Thiazole derivatives often exhibit diverse biological activities, and the presence of a cyano and ester group may enhance its reactivity or pharmacological properties.
Catalog Number | C000711 |
CAS Number | 923942-34-1 |
Synonyms | Methyl 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid Ester; Methyl 2-(3-Cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate Acetate; |
Molecular Formula | C₁₇H₁₈N₂O₃S |
Purity | ≥95% |
Solubility | DMSO (Slightly), Methanol (Slightly) |
Appearance | White to Off-White Solid |
Storage | 2-8°C |
IUPAC Name | methyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate |
InChI | InChI=1S/C17H18N2O3S/c1-10(2)9-22-14-6-5-12(7-13(14)8-18)16-19-11(3)15(23-16)17(20)21-4/h5-7,10H,9H2,1-4H3 |
InChIKey | LCAIQMGTEPBUGN-UHFFFAOYSA-N |
SMILES | CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)OC |
Reference | Kilaru, R. B., et al.: Bioorg. Med. Chem. Lett., 24, 4580-4585 (2014); Osada, Y., et al.: Eur. J. Pharmacol., 241, 183 (1993), Okamoto, K., et al.: J. Biol. Chem., 278, 1848 (2003), Mayer, M.D., et al.: Am. J. Therap., 12, 22 (2005), Tomlinson, B., et al.: Curr. Opin. Invest. Drugs, 6, 1168 (2005), |