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2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(3-methoxyphenyl)butanamide
SpectraBase Compound ID 5OKLxYBY46H
InChI InChI=1S/C29H33N7O4S/c1-7-25(28(37)30-19-9-8-10-20(14-19)38-4)41-29-31-22-16-24(40-6)23(39-5)15-21(22)27-32-26(34-36(27)29)11-12-35-18(3)13-17(2)33-35/h8-10,13-16,25H,7,11-12H2,1-6H3,(H,30,37)
InChIKey NNNXVYRETRWXFS-UHFFFAOYSA-N
Mol Weight 575.7 g/mol
Molecular Formula C29H33N7O4S
Exact Mass 575.231474 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jc48NK1zhxd
Name 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(3-methoxyphenyl)butanamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 575.231473741 u
Formula C29H33N7O4S
InChI InChI=1S/C29H33N7O4S/c1-7-25(28(37)30-19-9-8-10-20(14-19)38-4)41-29-31-22-16-24(40-6)23(39-5)15-21(22)27-32-26(34-36(27)29)11-12-35-18(3)13-17(2)33-35/h8-10,13-16,25H,7,11-12H2,1-6H3,(H,30,37)
InChIKey NNNXVYRETRWXFS-UHFFFAOYSA-N
Molecular Weight 575.688 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7085
Solvent DMSO-d6
Source Vendor ID: NMR/12329611