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N1,N4-Bis(5-phenyl-5H-thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)piperazine-1,4-dicarboxamide
SpectraBase Compound ID CpGhRB4HZU8
InChI InChI=1S/C26H24N8O2S4/c35-25(27-23-29-33-19(39-23)15-37-21(33)17-7-3-1-4-8-17)31-11-13-32(14-12-31)26(36)28-24-30-34-20(40-24)16-38-22(34)18-9-5-2-6-10-18/h1-10,15-16,21-22H,11-14H2,(H,27,29,35)(H,28,30,36)
InChIKey PTHBHZMGFMIEMK-UHFFFAOYSA-N
Mol Weight 608.8 g/mol
Molecular Formula C26H24N8O2S4
Exact Mass 608.090507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CxpIyjrCHZ
Name N1,N4-Bis(5-phenyl-5H-thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)piperazine-1,4-dicarboxamide
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N8O2S4
InChI InChI=1S/C26H24N8O2S4/c35-25(27-23-29-33-19(39-23)15-37-21(33)17-7-3-1-4-8-17)31-11-13-32(14-12-31)26(36)28-24-30-34-20(40-24)16-38-22(34)18-9-5-2-6-10-18/h1-10,15-16,21-22H,11-14H2,(H,27,29,35)(H,28,30,36)
InChIKey PTHBHZMGFMIEMK-UHFFFAOYSA-N
Instrument Name Kratos or Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2826
Molecular Weight 608.772 g/mol
SMILES N(C=1SC2=CSC(c3ccccc3)N2N1)C(N1CCN(C(=O)NC=2SC3=CSC(N3N2)c2ccccc2)CC1)=O
SPLASH splash10-002r-9320430000-cc3dbbba56101a70a62e
Source of Spectrum Y-54-2364-9
Thin-Layer Chromatography Rf = 0.35 (pet. Ether (60-80)/ethyl acetate, 4:1)
Wiley ID 1878450