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methyl 2-[({[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

methyl 2-[({[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4AeM6tlRIzN
InChI InChI=1S/C25H31N5O5S2/c1-15-16(13-29(2)28-15)12-18-23(32)30(10-7-11-34-3)25(26-18)36-14-20(31)27-22-21(24(33)35-4)17-8-5-6-9-19(17)37-22/h12-13H,5-11,14H2,1-4H3,(H,27,31)/b18-12+
InChIKey UIIJXADRLFHGNW-LDADJPATSA-N
Mol Weight 545.67 g/mol
Molecular Formula C25H31N5O5S2
Exact Mass 545.176661 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I4sC83hHB4o
Name methyl 2-[({[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-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/C25H31N5O5S2/c1-15-16(13-29(2)28-15)12-18-23(32)30(10-7-11-34-3)25(26-18)36-14-20(31)27-22-21(24(33)35-4)17-8-5-6-9-19(17)37-22/h12-13H,5-11,14H2,1-4H3,(H,27,31)/b18-12+
InChIKey UIIJXADRLFHGNW-LDADJPATSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11602
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/1268089; Labnumber: NIV1652; UZI_ID: UZI-011604
Synonyms methyl 2-[({[4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 308 °C