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

SpectraBase Compound ID	KUpZ87TThgP
InChI	InChI=1S/C26H25N5O4S2/c1-30-14-16(13-27-30)12-19-24(33)31(17-8-4-3-5-9-17)26(28-19)36-15-21(32)29-23-22(25(34)35-2)18-10-6-7-11-20(18)37-23/h3-5,8-9,12-14H,6-7,10-11,15H2,1-2H3,(H,29,32)/b19-12+
InChIKey	YPMSFRUSMKFZTN-XDHOZWIPSA-N Google Search
Mol Weight	535.64 g/mol
Molecular Formula	C26H25N5O4S2
Exact Mass	535.134797 g/mol

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SpectraBase Spectrum ID	IJb96BVElCm
Name	methyl 2-{[({(4E)-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-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/C26H25N5O4S2/c1-30-14-16(13-27-30)12-19-24(33)31(17-8-4-3-5-9-17)26(28-19)36-15-21(32)29-23-22(25(34)35-2)18-10-6-7-11-20(18)37-23/h3-5,8-9,12-14H,6-7,10-11,15H2,1-2H3,(H,29,32)/b19-12+
InChIKey	YPMSFRUSMKFZTN-XDHOZWIPSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11595
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/1266890; Labnumber: NIV1643; UZI_ID: UZI-011597
Synonyms	methyl 2-{[({4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C