5-(3'-(4-methoxyphenyl)-1'-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-2-yl)-5-oxopentanoic acid

SpectraBase Compound ID	3hL4DUF7M3R
InChI	InChI=1S/C28H26N4O4S/c1-36-21-14-12-19(13-15-21)28-22(18-31(30-28)20-7-3-2-4-8-20)24-17-23(25-9-6-16-37-25)29-32(24)26(33)10-5-11-27(34)35/h2-4,6-9,12-16,18,24H,5,10-11,17H2,1H3,(H,34,35)
InChIKey	BLGRDCIMLYXWFQ-UHFFFAOYSA-N Google Search
Mol Weight	514.6 g/mol
Molecular Formula	C28H26N4O4S
Exact Mass	514.167477 g/mol

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SpectraBase Spectrum ID	3mdiK5n6jTv
Name	5-(3'-(4-methoxyphenyl)-1'-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-2-yl)-5-oxopentanoic acid
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/C28H26N4O4S/c1-36-21-14-12-19(13-15-21)28-22(18-31(30-28)20-7-3-2-4-8-20)24-17-23(25-9-6-16-37-25)29-32(24)26(33)10-5-11-27(34)35/h2-4,6-9,12-16,18,24H,5,10-11,17H2,1H3,(H,34,35)
InChIKey	BLGRDCIMLYXWFQ-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_6480
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: 123690; Labnumber: EX00124943; VK_ID: VK-006483
Temperature	315 °C