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(6E)-6-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylene}-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 5lvbJfV4rqv
InChI InChI=1S/C24H20N6OS/c1-14-7-4-5-9-20(14)29-15(2)11-18(16(29)3)12-19-21(25)30-24(27-22(19)31)32-23(28-30)17-8-6-10-26-13-17/h4-13,25H,1-3H3/b19-12+,25-21?
InChIKey MNZJHZKSMOLEKQ-KHCNQNERSA-N
Mol Weight 440.53 g/mol
Molecular Formula C24H20N6OS
Exact Mass 440.14193 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7vDdghivW0Y
Name (6E)-6-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylene}-5-imino-2-(3-pyridinyl)-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/C24H20N6OS/c1-14-7-4-5-9-20(14)29-15(2)11-18(16(29)3)12-19-21(25)30-24(27-22(19)31)32-23(28-30)17-8-6-10-26-13-17/h4-13,25H,1-3H3/b19-12+,25-21?
InChIKey MNZJHZKSMOLEKQ-KHCNQNERSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4194
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: E01108; Labnumber: CEP5-0153; SBI_ID: SBI-004196
Synonyms 6-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylene}-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C