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ethyl 2-({[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4gGiQwov6Rt
InChI InChI=1S/C26H26BrF3N4O3S/c1-3-37-25(36)21-16-9-4-13(2)10-19(16)38-24(21)33-23(35)17-12-31-34-20(26(28,29)30)11-18(32-22(17)34)14-5-7-15(27)8-6-14/h5-8,12-13,18,20,32H,3-4,9-11H2,1-2H3,(H,33,35)
InChIKey GZSIDJIFVASABU-UHFFFAOYSA-N
Mol Weight 611.48 g/mol
Molecular Formula C26H26BrF3N4O3S
Exact Mass 610.086109 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IfE08SZTyUZ
Name ethyl 2-({[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C26H26BrF3N4O3S/c1-3-37-25(36)21-16-9-4-13(2)10-19(16)38-24(21)33-23(35)17-12-31-34-20(26(28,29)30)11-18(32-22(17)34)14-5-7-15(27)8-6-14/h5-8,12-13,18,20,32H,3-4,9-11H2,1-2H3,(H,33,35)
InChIKey GZSIDJIFVASABU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10261
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/9070413; UBI_ID: UBI-010264
Temperature 308 °C