For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

ethyl 2-{[({(4E)-4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4-phenyl-3-thiophenecarboxylate

View entire compound with spectra: 1 NMR

ethyl 2-{[({(4E)-4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4-phenyl-3-thiophenecarboxylate
SpectraBase Compound ID 4lX9SmvksMu
InChI InChI=1S/C26H27N5O4S2/c1-5-31-24(33)20(12-18-13-27-30(4)16(18)3)28-26(31)37-15-21(32)29-23-22(25(34)35-6-2)19(14-36-23)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,29,32)/b20-12+
InChIKey AYWQZAVENWPQDQ-UDWIEESQSA-N
Mol Weight 537.65 g/mol
Molecular Formula C26H27N5O4S2
Exact Mass 537.150447 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7I3RZoWLnab
Name ethyl 2-{[({(4E)-4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4-phenyl-3-thiophenecarboxylate
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/C26H27N5O4S2/c1-5-31-24(33)20(12-18-13-27-30(4)16(18)3)28-26(31)37-15-21(32)29-23-22(25(34)35-6-2)19(14-36-23)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,29,32)/b20-12+
InChIKey AYWQZAVENWPQDQ-UDWIEESQSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11450
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/1262526; Labnumber: NIV1303; UZI_ID: UZI-011452
Synonyms ethyl 2-{[({4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4-phenyl-3-thiophenecarboxylate
Temperature 308 °C