isopropyl 2-({[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	KDzKykSBvYq
InChI	InChI=1S/C26H26BrF3N4O3S/c1-13(2)37-25(36)22-16-5-3-4-6-19(16)38-24(22)32-23(35)18-12-21-31-17(14-7-9-15(27)10-8-14)11-20(26(28,29)30)34(21)33-18/h7-10,12-13,17,20,31H,3-6,11H2,1-2H3,(H,32,35)
InChIKey	GEEPGJNFZJXGEB-UHFFFAOYSA-N Google Search
Mol Weight	611.48 g/mol
Molecular Formula	C26H26BrF3N4O3S
Exact Mass	610.086109 g/mol

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SpectraBase Spectrum ID	DNTTTwzGR7J
Name	isopropyl 2-({[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-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/c1-13(2)37-25(36)22-16-5-3-4-6-19(16)38-24(22)32-23(35)18-12-21-31-17(14-7-9-15(27)10-8-14)11-20(26(28,29)30)34(21)33-18/h7-10,12-13,17,20,31H,3-6,11H2,1-2H3,(H,32,35)
InChIKey	GEEPGJNFZJXGEB-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11295
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/9085684; UBI_ID: UBI-011298
Temperature	313 °C