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(2E)-5-(4-chlorophenyl)-2-[(1,5-dimethyl-4-pyrazolyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester

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(2E)-5-(4-chlorophenyl)-2-[(1,5-dimethyl-4-pyrazolyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID 5bKnrTrGJvB
InChI InChI=1S/C22H21ClN4O3S/c1-5-30-21(29)18-12(2)25-22-27(19(18)14-6-8-16(23)9-7-14)20(28)17(31-22)10-15-11-24-26(4)13(15)3/h6-11,19H,5H2,1-4H3/b17-10+
InChIKey WSXRGPFVROZOCV-LICLKQGHSA-N
Mol Weight 456.95 g/mol
Molecular Formula C22H21ClN4O3S
Exact Mass 456.102289 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2t32Gca8KiD
Name 5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-(4-chlorophenyl)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-7-methyl-3-oxo-, ethyl
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.102289423 u
Formula C22H21ClN4O3S
InChI InChI=1S/C22H21ClN4O3S/c1-5-30-21(29)18-12(2)25-22-27(19(18)14-6-8-16(23)9-7-14)20(28)17(31-22)10-15-11-24-26(4)13(15)3/h6-11,19H,5H2,1-4H3/b17-10+
InChIKey WSXRGPFVROZOCV-LICLKQGHSA-N
Molecular Weight 456.948 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4298
Solvent DMSO-d6
Source Vendor ID: ZI/9044709; Lab Info: FG; Lab Number: FG-yaf0689