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-phenyl-3-thiophenecarboxylate

SpectraBase Compound ID	FPMTAxR4m1H
InChI	InChI=1S/C27H29N5O4S2/c1-5-36-26(35)23-20(19-9-7-6-8-10-19)15-37-24(23)30-22(33)16-38-27-29-21(11-18-12-28-31(4)14-18)25(34)32(27)13-17(2)3/h6-12,14-15,17H,5,13,16H2,1-4H3,(H,30,33)/b21-11+
InChIKey	BICFCFBEZCVTAP-SRZZPIQSSA-N Google Search
Mol Weight	551.68 g/mol
Molecular Formula	C27H29N5O4S2
Exact Mass	551.166097 g/mol

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SpectraBase Spectrum ID	LUrgkBZHqs7
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-phenyl-3-thiophenecarboxylate
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/C27H29N5O4S2/c1-5-36-26(35)23-20(19-9-7-6-8-10-19)15-37-24(23)30-22(33)16-38-27-29-21(11-18-12-28-31(4)14-18)25(34)32(27)13-17(2)3/h6-12,14-15,17H,5,13,16H2,1-4H3,(H,30,33)/b21-11+
InChIKey	BICFCFBEZCVTAP-SRZZPIQSSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11582
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/1267789; Labnumber: NIV1621; UZI_ID: UZI-011584
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-phenyl-3-thiophenecarboxylate
Temperature	313 °C