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2-(5-(2-butyl-4-chloro-1H-imidazol-5-yl)-1-(4-(4-chlorophenyl)thiazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)-4-chloro-5-methylphenol

View entire compound with spectra: 2 MS (GC)

2-(5-(2-butyl-4-chloro-1H-imidazol-5-yl)-1-(4-(4-chlorophenyl)thiazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)-4-chloro-5-methylphenol
SpectraBase Compound ID LjSBkI8Ia23
InChI InChI=1S/C26H24Cl3N5OS/c1-3-4-5-23-31-24(25(29)32-23)21-12-19(17-11-18(28)14(2)10-22(17)35)33-34(21)26-30-20(13-36-26)15-6-8-16(27)9-7-15/h6-11,13,21,35H,3-5,12H2,1-2H3,(H,31,32)
InChIKey ZMEKGJVRFLJHIZ-UHFFFAOYSA-N
Mol Weight 560.93 g/mol
Molecular Formula C26H24Cl3N5OS
Exact Mass 559.076715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mbJEDTFTRG
Name 2-(5-(2-butyl-4-chloro-1H-imidazol-5-yl)-1-(4-(4-chlorophenyl)thiazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)-4-chloro-5-methylphenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24Cl3N5OS
InChI InChI=1S/C26H24Cl3N5OS/c1-3-4-5-23-31-24(25(29)32-23)21-12-19(17-11-18(28)14(2)10-22(17)35)33-34(21)26-30-20(13-36-26)15-6-8-16(27)9-7-15/h6-11,13,21,35H,3-5,12H2,1-2H3,(H,31,32)
InChIKey ZMEKGJVRFLJHIZ-UHFFFAOYSA-N
Molecular Weight 560.931 g/mol
SMILES Oc1cc(c(cc1C1=NN(C(c2[nH]c(nc2Cl)CCCC)C1)c1nc(cs1)-c1ccc(cc1)Cl)Cl)C
SPLASH splash10-0829-0549270000-e0f46f4541e6e0e82e21
Source of Spectrum Bhaskar S. Dawane, et al. European Journal of Medicinal Chemistry, V.45, 2010, P.387-392
Wiley ID 1816844