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ethyl (2E)-5-(4-chlorophenyl)-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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ethyl (2E)-5-(4-chlorophenyl)-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID TGP1JjnHFA
InChI InChI=1S/C21H19ClN4O3S/c1-4-29-20(28)17-12(2)24-21-26(18(17)14-5-7-15(22)8-6-14)19(27)16(30-21)9-13-10-23-25(3)11-13/h5-11,18H,4H2,1-3H3/b16-9+
InChIKey VNBOWPGVLPBERX-CXUHLZMHSA-N
Mol Weight 442.92 g/mol
Molecular Formula C21H19ClN4O3S
Exact Mass 442.086639 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9O7Jn17Jtbe
Name ethyl (2E)-5-(4-chlorophenyl)-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-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/C21H19ClN4O3S/c1-4-29-20(28)17-12(2)24-21-26(18(17)14-5-7-15(22)8-6-14)19(27)16(30-21)9-13-10-23-25(3)11-13/h5-11,18H,4H2,1-3H3/b16-9+
InChIKey VNBOWPGVLPBERX-CXUHLZMHSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14860
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: UZI/1020525; UBI_ID: UBI-014863
Synonyms ethyl 5-(4-chlorophenyl)-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 306 °C