(6E)-6-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-(4-fluorophenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

SpectraBase Compound ID	1ER77PAzVtf
InChI	InChI=1S/C25H20FN5OS/c1-14-6-4-5-7-21(14)30-15(2)12-18(16(30)3)13-20-22(27)31-25(28-23(20)32)33-24(29-31)17-8-10-19(26)11-9-17/h4-13,27H,1-3H3/b20-13+,27-22?
InChIKey	GKUYPLDRISBLSA-JFDFMHGASA-N Google Search
Mol Weight	457.53 g/mol
Molecular Formula	C25H20FN5OS
Exact Mass	457.13726 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	JL4psOjmwEI
Name	(6E)-6-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-(4-fluorophenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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/C25H20FN5OS/c1-14-6-4-5-7-21(14)30-15(2)12-18(16(30)3)13-20-22(27)31-25(28-23(20)32)33-24(29-31)17-8-10-19(26)11-9-17/h4-13,27H,1-3H3/b20-13+,27-22?
InChIKey	GKUYPLDRISBLSA-JFDFMHGASA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4164
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: E01071; Labnumber: CEP4-1320; SBI_ID: SBI-004166
Synonyms	6-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-(4-fluorophenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	318 °C