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2-{[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

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2-{[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID 7d4r01PrRG2
InChI InChI=1S/C18H11BrF5N7S/c1-6-3-8(15(20)21)26-17-10(6)12-13(32-17)16-27-9(28-31(16)5-25-12)4-30-7(2)11(19)14(29-30)18(22,23)24/h3,5,15H,4H2,1-2H3
InChIKey CEJDGNWALJROOQ-UHFFFAOYSA-N
Mol Weight 532.29 g/mol
Molecular Formula C18H11BrF5N7S
Exact Mass 530.990018 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1xCaSggCcU
Name 2-{[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
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/C18H11BrF5N7S/c1-6-3-8(15(20)21)26-17-10(6)12-13(32-17)16-27-9(28-31(16)5-25-12)4-30-7(2)11(19)14(29-30)18(22,23)24/h3,5,15H,4H2,1-2H3
InChIKey CEJDGNWALJROOQ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32807
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: 1911575; SBI_ID: SBI-032811
Temperature 315 °C