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ethyl 4-{4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate

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ethyl 4-{4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate
SpectraBase Compound ID 2LRyeEvs7zJ
InChI InChI=1S/C30H37N5O6S/c1-4-40-28(38)21-6-10-23(11-7-21)31-26(36)20-25-27(37)35(24-12-8-22(9-13-24)29(39)41-5-2)30(42)34(25)19-18-33-16-14-32(3)15-17-33/h6-13,25H,4-5,14-20H2,1-3H3,(H,31,36)
InChIKey YKNUYHVBBXHUKN-UHFFFAOYSA-N
Mol Weight 595.7 g/mol
Molecular Formula C30H37N5O6S
Exact Mass 595.246455 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9g8Dh9zQ1NO
Name ethyl 4-{4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 595.246455099 u
Formula C30H37N5O6S
InChI InChI=1S/C30H37N5O6S/c1-4-40-28(38)21-6-10-23(11-7-21)31-26(36)20-25-27(37)35(24-12-8-22(9-13-24)29(39)41-5-2)30(42)34(25)19-18-33-16-14-32(3)15-17-33/h6-13,25H,4-5,14-20H2,1-3H3,(H,31,36)
InChIKey YKNUYHVBBXHUKN-UHFFFAOYSA-N
Molecular Weight 595.715 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2478
Solvent DMSO-d6
Source Vendor ID: NMR/12279520