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

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1H-pyrazole-3-acetic acid, 1-(2-benzothiazolyl)-4,5-dihydro-5-oxo-4-[1-[(3-pyridinylmethyl)amino]ethylidene]-, methyl ester, (4Z)-
SpectraBase Compound ID 7kTTmZsuhD1
InChI InChI=1S/C21H19N5O3S/c1-13(23-12-14-6-5-9-22-11-14)19-16(10-18(27)29-2)25-26(20(19)28)21-24-15-7-3-4-8-17(15)30-21/h3-9,11,23H,10,12H2,1-2H3/b19-13-
InChIKey VGUFHDXANJLKLQ-UYRXBGFRSA-N
Mol Weight 421.48 g/mol
Molecular Formula C21H19N5O3S
Exact Mass 421.120861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 32krxid74Um
Name 1H-pyrazole-3-acetic acid, 1-(2-benzothiazolyl)-4,5-dihydro-5-oxo-4-[1-[(3-pyridinylmethyl)amino]ethylidene]-, methyl ester, (4Z)-
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/C21H19N5O3S/c1-13(23-12-14-6-5-9-22-11-14)19-16(10-18(27)29-2)25-26(20(19)28)21-24-15-7-3-4-8-17(15)30-21/h3-9,11,23H,10,12H2,1-2H3/b19-13-
InChIKey VGUFHDXANJLKLQ-UYRXBGFRSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_918
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: F06830; Labnumber: VGU-77638
Temperature 308 °C