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methyl (2E)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 65lI6vDzsjy
InChI InChI=1S/C22H22N4O4S/c1-12-15(11-25(3)24-12)10-17-20(27)26-19(14-6-8-16(29-4)9-7-14)18(21(28)30-5)13(2)23-22(26)31-17/h6-11,19H,1-5H3/b17-10+
InChIKey PCMOOVFYSGKIJU-LICLKQGHSA-N
Mol Weight 438.5 g/mol
Molecular Formula C22H22N4O4S
Exact Mass 438.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kc4hNQrDbGA
Name methyl (2E)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H22N4O4S/c1-12-15(11-25(3)24-12)10-17-20(27)26-19(14-6-8-16(29-4)9-7-14)18(21(28)30-5)13(2)23-22(26)31-17/h6-11,19H,1-5H3/b17-10+
InChIKey PCMOOVFYSGKIJU-LICLKQGHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10425
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1003016; UBI_ID: UBI-010428
Synonyms methyl 2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 318 °C