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3-amino-6-(10H-phenothiazin-2-yl)-4-(1,3-diphenyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID 5iVVgSviAay
InChI InChI=1S/C33H23N7S/c34-32-30-23(24-19-40(22-11-5-2-6-12-22)39-31(24)20-9-3-1-4-10-20)18-26(36-33(30)38-37-32)21-15-16-29-27(17-21)35-25-13-7-8-14-28(25)41-29/h1-19,35H,(H3,34,36,37,38)
InChIKey UOLMZKAHNUJBHF-UHFFFAOYSA-N
Mol Weight 549.7 g/mol
Molecular Formula C33H23N7S
Exact Mass 549.173565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkuGIjWw9d9
Name 3-amino-6-(10H-phenothiazin-2-yl)-4-(1,3-diphenyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine
Appearance Dark reddish brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H23N7S
InChI InChI=1S/C33H23N7S/c34-32-30-23(24-19-40(22-11-5-2-6-12-22)39-31(24)20-9-3-1-4-10-20)18-26(36-33(30)38-37-32)21-15-16-29-27(17-21)35-25-13-7-8-14-28(25)41-29/h1-19,35H,(H3,34,36,37,38)
InChIKey UOLMZKAHNUJBHF-UHFFFAOYSA-N
Instrument Name Kratos and Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3771
Molecular Weight 549.656 g/mol
SMILES Nc1c2c(nc(-c3cc4c(Sc5c(cccc5)N4)cc3)cc2-c2c(n[n](c2)-c2ccccc2)-c2ccccc2)[nH]n1
SPLASH splash10-00di-0900000000-023be5ee19dc6ca7e8b4
Source of Spectrum Y-57-265-14
Thin-Layer Chromatography Rf = 0.32, (PE(40-60): EtOAc, 4:1.5)
Wiley ID 1859772