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2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-5-hydroxy-7-(4-nitrophenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile

View entire compound with spectra: 1 MS (GC)

2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-5-hydroxy-7-(4-nitrophenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
SpectraBase Compound ID HV8KtN7Hdza
InChI InChI=1S/C21H17N5O3S2/c22-9-13-15(10-5-7-11(8-6-10)26(28)29)17-19(24-20(13)27)25-21(31-17)16-12-3-1-2-4-14(12)30-18(16)23/h5-8,15,24,27H,1-4,23H2
InChIKey VAEFBROTIGOKMA-UHFFFAOYSA-N
Mol Weight 451.52 g/mol
Molecular Formula C21H17N5O3S2
Exact Mass 451.077282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IjjRGhRdBr4
Name 2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-5-hydroxy-7-(4-nitrophenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5O3S2
InChI InChI=1S/C21H17N5O3S2/c22-9-13-15(10-5-7-11(8-6-10)26(28)29)17-19(24-20(13)27)25-21(31-17)16-12-3-1-2-4-14(12)30-18(16)23/h5-8,15,24,27H,1-4,23H2
InChIKey VAEFBROTIGOKMA-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5988 and Shimadzu GCMS-QP 1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3697
Molecular Weight 451.519 g/mol
SMILES N1C(=C(C(c2c1nc(-c1c3c(sc1N)CCCC3)s2)c1ccc(cc1)[N+]([O-])=O)C#N)O
SPLASH splash10-0a4i-0009000000-82d41fe4282d5d045c5b
Source of Spectrum Y-56-3026-5h
Wiley ID 1859347