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1H-pyrazole-3-acetic acid, 1-(2-benzothiazolyl)-4,5-dihydro-4-[1-[[2-(4-morpholinyl)ethyl]amino]ethylidene]-5-oxo-, methyl ester, (4Z)-

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1H-pyrazole-3-acetic acid, 1-(2-benzothiazolyl)-4,5-dihydro-4-[1-[[2-(4-morpholinyl)ethyl]amino]ethylidene]-5-oxo-, methyl ester, (4Z)-
SpectraBase Compound ID CmjucVkQyAL
InChI InChI=1S/C21H25N5O4S/c1-14(22-7-8-25-9-11-30-12-10-25)19-16(13-18(27)29-2)24-26(20(19)28)21-23-15-5-3-4-6-17(15)31-21/h3-6,22H,7-13H2,1-2H3/b19-14-
InChIKey WIMQZKZTDQEQRL-RGEXLXHISA-N
Mol Weight 443.52 g/mol
Molecular Formula C21H25N5O4S
Exact Mass 443.162725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JR15cbes8B9
Name 1H-pyrazole-3-acetic acid, 1-(2-benzothiazolyl)-4,5-dihydro-4-[1-[[2-(4-morpholinyl)ethyl]amino]ethylidene]-5-oxo-, methyl ester, (4Z)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H25N5O4S/c1-14(22-7-8-25-9-11-30-12-10-25)19-16(13-18(27)29-2)24-26(20(19)28)21-23-15-5-3-4-6-17(15)31-21/h3-6,22H,7-13H2,1-2H3/b19-14-
InChIKey WIMQZKZTDQEQRL-RGEXLXHISA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_925
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: F06837; Labnumber: VGU-77673
Temperature 308 °C