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

SpectraBase Compound ID	KRVmuKnYxHr
InChI	InChI=1S/C25H31N5O4S2/c1-5-34-24(33)21-17-8-6-7-9-19(17)36-22(21)28-20(31)14-35-25-27-18(10-16-11-26-29(4)13-16)23(32)30(25)12-15(2)3/h10-11,13,15H,5-9,12,14H2,1-4H3,(H,28,31)/b18-10+
InChIKey	UVQGYCKKHDTVJA-VCHYOVAHSA-N Google Search
Mol Weight	529.67 g/mol
Molecular Formula	C25H31N5O4S2
Exact Mass	529.181747 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	5Rq7bBj9fW8
Name	ethyl 2-{[({(4E)-1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-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/C25H31N5O4S2/c1-5-34-24(33)21-17-8-6-7-9-19(17)36-22(21)28-20(31)14-35-25-27-18(10-16-11-26-29(4)13-16)23(32)30(25)12-15(2)3/h10-11,13,15H,5-9,12,14H2,1-4H3,(H,28,31)/b18-10+
InChIKey	UVQGYCKKHDTVJA-VCHYOVAHSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11581
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/1266945; Labnumber: NIV1620; UZI_ID: UZI-011583
Synonyms	ethyl 2-{[({1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	313 °C