ethyl 2-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

SpectraBase Compound ID	FHJ4ItjJ8yV
InChI	InChI=1S/C25H31N5O4S2/c1-5-30-23(32)18(12-16-13-29(4)28-15(16)3)26-25(30)35-14-20(31)27-22-21(24(33)34-6-2)17-10-8-7-9-11-19(17)36-22/h12-13H,5-11,14H2,1-4H3,(H,27,31)/b18-12+
InChIKey	NAXDJSLDXDEZPO-LDADJPATSA-N Google Search
Mol Weight	529.67 g/mol
Molecular Formula	C25H31N5O4S2
Exact Mass	529.181747 g/mol

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SpectraBase Spectrum ID	3Se0MOap09P
Name	ethyl 2-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C25H31N5O4S2/c1-5-30-23(32)18(12-16-13-29(4)28-15(16)3)26-25(30)35-14-20(31)27-22-21(24(33)34-6-2)17-10-8-7-9-11-19(17)36-22/h12-13H,5-11,14H2,1-4H3,(H,27,31)/b18-12+
InChIKey	NAXDJSLDXDEZPO-LDADJPATSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11578
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/1266784; Labnumber: NIV1613; UZI_ID: UZI-011580
Synonyms	ethyl 2-{[({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Temperature	308 °C