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

View entire compound with spectra: 1 NMR

ethyl 2-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID GXuj6gXuqZE
InChI InChI=1S/C26H27N5O4S2/c1-6-35-25(34)22-15(2)17(4)37-23(22)28-21(32)14-36-26-27-20(12-18-13-30(5)29-16(18)3)24(33)31(26)19-10-8-7-9-11-19/h7-13H,6,14H2,1-5H3,(H,28,32)/b20-12+
InChIKey XCPZZHQHLVUADW-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

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SpectraBase Spectrum ID 7sUdgpdZrQX
Name ethyl 2-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-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/c1-6-35-25(34)22-15(2)17(4)37-23(22)28-21(32)14-36-26-27-20(12-18-13-30(5)29-16(18)3)24(33)31(26)19-10-8-7-9-11-19/h7-13H,6,14H2,1-5H3,(H,28,32)/b20-12+
InChIKey XCPZZHQHLVUADW-UDWIEESQSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11611
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/1266699; Labnumber: NIV1662; UZI_ID: UZI-011613
Synonyms ethyl 2-{[({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
Temperature 308 °C