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methyl 2-[({1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]-1H-pyrazol-3-yl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

View entire compound with spectra: 1 NMR

methyl 2-[({1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]-1H-pyrazol-3-yl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 1TFzAqVvYXc
InChI InChI=1S/C24H22F3N7O3S/c1-33-12-13(11-28-33)16-10-18(24(25,26)27)30-23(29-16)34-9-8-15(32-34)20(35)31-21-19(22(36)37-2)14-6-4-3-5-7-17(14)38-21/h8-12H,3-7H2,1-2H3,(H,31,35)
InChIKey QOLHELYNCZZRES-UHFFFAOYSA-N
Mol Weight 545.54 g/mol
Molecular Formula C24H22F3N7O3S
Exact Mass 545.145693 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 513G3TFpCIL
Name methyl 2-[({1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]-1H-pyrazol-3-yl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C24H22F3N7O3S/c1-33-12-13(11-28-33)16-10-18(24(25,26)27)30-23(29-16)34-9-8-15(32-34)20(35)31-21-19(22(36)37-2)14-6-4-3-5-7-17(14)38-21/h8-12H,3-7H2,1-2H3,(H,31,35)
InChIKey QOLHELYNCZZRES-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33214
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: 1912220; SBI_ID: SBI-033218
Temperature 318 °C