4-[[2-(5-keto-1-phenyl-2-thioxo-3-veratryl-imidazolidin-4-yl)acetyl]amino]benzoic acid methyl ester

SpectraBase Compound ID	B4B1rIfTQum
InChI	InChI=1S/C28H27N3O6S/c1-35-23-14-9-18(15-24(23)36-2)17-30-22(26(33)31(28(30)38)21-7-5-4-6-8-21)16-25(32)29-20-12-10-19(11-13-20)27(34)37-3/h4-15,22H,16-17H2,1-3H3,(H,29,32)
InChIKey	VSILVKUPMYUUNT-UHFFFAOYSA-N Google Search
Mol Weight	533.6 g/mol
Molecular Formula	C28H27N3O6S
Exact Mass	533.162057 g/mol

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SpectraBase Spectrum ID	11X4g4IV9Kv
Name	methyl 4-({[3-(3,4-dimethoxybenzyl)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate
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/C28H27N3O6S/c1-35-23-14-9-18(15-24(23)36-2)17-30-22(26(33)31(28(30)38)21-7-5-4-6-8-21)16-25(32)29-20-12-10-19(11-13-20)27(34)37-3/h4-15,22H,16-17H2,1-3H3,(H,29,32)
InChIKey	VSILVKUPMYUUNT-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2281
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: D02357; Labnumber: MPOL-10697; SBI_ID: SBI-002283
Temperature	318 °C