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methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID KiKMKUf7DeA
InChI InChI=1S/C25H29N5O3S/c1-8-29-16(4)19(14(2)27-29)13-20-23(31)30-22(17-9-11-18(12-10-17)28(5)6)21(24(32)33-7)15(3)26-25(30)34-20/h9-13,22H,8H2,1-7H3/b20-13+
InChIKey LJFOFUZRXQVZLL-DEDYPNTBSA-N
Mol Weight 479.6 g/mol
Molecular Formula C25H29N5O3S
Exact Mass 479.199111 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L8gym7UrVLv
Name methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-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/C25H29N5O3S/c1-8-29-16(4)19(14(2)27-29)13-20-23(31)30-22(17-9-11-18(12-10-17)28(5)6)21(24(32)33-7)15(3)26-25(30)34-20/h9-13,22H,8H2,1-7H3/b20-13+
InChIKey LJFOFUZRXQVZLL-DEDYPNTBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8884
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/1262689; Labnumber: FED0496; UZI_ID: UZI-008886
Synonyms methyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 318 °C