methyl 2-{[({(4E)-4-[(1,3-dimethyl-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	3AxAEFxkzqN
InChI	InChI=1S/C27H27N5O4S2/c1-16-17(14-31(2)30-16)13-20-25(34)32(18-9-5-4-6-10-18)27(28-20)37-15-22(33)29-24-23(26(35)36-3)19-11-7-8-12-21(19)38-24/h4-6,9-10,13-14H,7-8,11-12,15H2,1-3H3,(H,29,33)/b20-13+
InChIKey	KZHSRAAAMRFKFQ-DEDYPNTBSA-N Google Search
Mol Weight	549.66 g/mol
Molecular Formula	C27H27N5O4S2
Exact Mass	549.150447 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	z7aImg9BLN
Name	methyl 2-{[({(4E)-4-[(1,3-dimethyl-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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C27H27N5O4S2/c1-16-17(14-31(2)30-16)13-20-25(34)32(18-9-5-4-6-10-18)27(28-20)37-15-22(33)29-24-23(26(35)36-3)19-11-7-8-12-21(19)38-24/h4-6,9-10,13-14H,7-8,11-12,15H2,1-3H3,(H,29,33)/b20-13+
InChIKey	KZHSRAAAMRFKFQ-DEDYPNTBSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11609
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/1267505; Labnumber: NIV1660; UZI_ID: UZI-011611
Synonyms	methyl 2-{[({4-[(1,3-dimethyl-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