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#6.3;N-[5-[[2-[(2-FLUOROPHENYL)-AMINO]-2-OXOETHYL]-THIO]-1,3,4-THIADIAZOL-2-YL]-2-[(2-OXO-3-PHENYL-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-ACETAMIDE

View entire compound with spectra: 1 NMR

#6.3;N-[5-[[2-[(2-FLUOROPHENYL)-AMINO]-2-OXOETHYL]-THIO]-1,3,4-THIADIAZOL-2-YL]-2-[(2-OXO-3-PHENYL-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-ACETAMIDE
SpectraBase Compound ID wrh9y6V4QE
InChI InChI=1S/C28H19FN8O3S3/c29-18-11-5-7-13-20(18)30-21(38)15-42-28-35-34-26(43-28)32-22(39)14-41-27-31-19-12-6-4-10-17(19)24-33-25(40)23(36-37(24)27)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,30,38)(H,32,34,39)
InChIKey ANRROUIUKJWQLN-UHFFFAOYSA-N
Mol Weight 630.69 g/mol
Molecular Formula C28H19FN8O3S3
Exact Mass 630.072628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7VE3RKnxcA
Name #6.3;N-[5-[[2-[(2-FLUOROPHENYL)-AMINO]-2-OXOETHYL]-THIO]-1,3,4-THIADIAZOL-2-YL]-2-[(2-OXO-3-PHENYL-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-ACETAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H19FN8O3S3
InChI InChI=1S/C28H19FN8O3S3/c29-18-11-5-7-13-20(18)30-21(38)15-42-28-35-34-26(43-28)32-22(39)14-41-27-31-19-12-6-4-10-17(19)24-33-25(40)23(36-37(24)27)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,30,38)(H,32,34,39)
InChIKey ANRROUIUKJWQLN-UHFFFAOYSA-N
Literature Reference Author S.I.KOVALENKO,I.S.NOSULENKO,A.Y.VOSKOBOYNIK,G.G.BEREST,L.N.A NTYPENKO,A.N.ANTYPEN
Literature Reference Citation SCI.PHARM.,80,837(2012)
Molecular Weight 630.689 g/mol
Sample ID 73538
Solvent DMSO-D6