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

SpectraBase Compound ID	KoVoDcXyygK
InChI	InChI=1S/C28H29N5O6S2/c1-6-38-26(36)22-16(3)23(27(37)39-7-2)41-24(22)30-21(34)15-40-28-29-20(13-18-14-32(5)31-17(18)4)25(35)33(28)19-11-9-8-10-12-19/h8-14H,6-7,15H2,1-5H3,(H,30,34)/b20-13+
InChIKey	GEEGREGMXLHVKQ-DEDYPNTBSA-N Google Search
Mol Weight	595.69 g/mol
Molecular Formula	C28H29N5O6S2
Exact Mass	595.155926 g/mol

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SpectraBase Spectrum ID	5eFJwFWGawB
Name	diethyl 5-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate
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/C28H29N5O6S2/c1-6-38-26(36)22-16(3)23(27(37)39-7-2)41-24(22)30-21(34)15-40-28-29-20(13-18-14-32(5)31-17(18)4)25(35)33(28)19-11-9-8-10-12-19/h8-14H,6-7,15H2,1-5H3,(H,30,34)/b20-13+
InChIKey	GEEGREGMXLHVKQ-DEDYPNTBSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11612
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/1265354; Labnumber: NIV1663; UZI_ID: UZI-011614
Synonyms	diethyl 5-{[({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate
Temperature	308 °C