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3-METHYL-8-NITRO-1,4-DIPHENYL-4,6,13-TRIHYDRO-BENZOTHIAZOLO-[3',2'-2,1]-PYRIMIDINO-[5,4-E]-PYRAZOLO-[5,4-B]-PYRIDIN-5-ONE

View entire compound with spectra: 1 NMR

3-METHYL-8-NITRO-1,4-DIPHENYL-4,6,13-TRIHYDRO-BENZOTHIAZOLO-[3',2'-2,1]-PYRIMIDINO-[5,4-E]-PYRAZOLO-[5,4-B]-PYRIDIN-5-ONE
SpectraBase Compound ID EUFVW8BrkBe
InChI InChI=1S/C27H18N6O3S/c1-15-21-22(16-8-4-2-5-9-16)23-24(28-25(21)32(30-15)17-10-6-3-7-11-17)29-27-31(26(23)34)19-14-18(33(35)36)12-13-20(19)37-27/h2-14,22,28H,1H3
InChIKey WFDUBVDNIGUATF-UHFFFAOYSA-N
Mol Weight 506.54 g/mol
Molecular Formula C27H18N6O3S
Exact Mass 506.11611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83Daw48Zkeb
Name 3-METHYL-8-NITRO-1,4-DIPHENYL-4,6,13-TRIHYDRO-BENZOTHIAZOLO-[3',2'-2,1]-PYRIMIDINO-[5,4-E]-PYRAZOLO-[5,4-B]-PYRIDIN-5-ONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H18N6O3S
InChI InChI=1S/C27H18N6O3S/c1-15-21-22(16-8-4-2-5-9-16)23-24(28-25(21)32(30-15)17-10-6-3-7-11-17)29-27-31(26(23)34)19-14-18(33(35)36)12-13-20(19)37-27/h2-14,22,28H,1H3
InChIKey WFDUBVDNIGUATF-UHFFFAOYSA-N
Literature Reference Author T.I.EL-EMARY,S.A.A.EL-MOHSEN
Literature Reference Citation MOLECULES,17,14464(2012)
Literature Reference DOI 10.3390/molecules171214464
Molecular Weight 506.538 g/mol
Sample ID 916
Solvent DMSO-D6