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1,1'-(4,4'-AZANEDIYLBIS-(4,1-PHENYLENE))-BIS-(3-2-(1,3-DIOXOINDOLIN-2-YL)-ETHYL)-3-METHOXYTHIOUREA)
SpectraBase Compound ID H0GsnpucMEK
InChI InChI=1S/C36H33N7O6S2/c1-48-42(21-19-40-31(44)27-7-3-4-8-28(27)32(40)45)35(50)38-25-15-11-23(12-16-25)37-24-13-17-26(18-14-24)39-36(51)43(49-2)22-20-41-33(46)29-9-5-6-10-30(29)34(41)47/h3-18,37H,19-22H2,1-2H3,(H,38,50)(H,39,51)
InChIKey ZGIHRAWLZJJCAI-UHFFFAOYSA-N
Mol Weight 723.8 g/mol
Molecular Formula C36H33N7O6S2
Exact Mass 723.193374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hL9cYRxn2F
Name 1,1'-(4,4'-AZANEDIYLBIS-(4,1-PHENYLENE))-BIS-(3-2-(1,3-DIOXOINDOLIN-2-YL)-ETHYL)-3-METHOXYTHIOUREA)
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H33N7O6S2
InChI InChI=1S/C36H33N7O6S2/c1-48-42(21-19-40-31(44)27-7-3-4-8-28(27)32(40)45)35(50)38-25-15-11-23(12-16-25)37-24-13-17-26(18-14-24)39-36(51)43(49-2)22-20-41-33(46)29-9-5-6-10-30(29)34(41)47/h3-18,37H,19-22H2,1-2H3,(H,38,50)(H,39,51)
InChIKey ZGIHRAWLZJJCAI-UHFFFAOYSA-N
Literature Reference Author L.NIETO,A.MASCARAQUE,F.MILLER,F.GLACIAL,C.R.MARTINEZ,M.KAISE R,R.BRUN,C.DARDONVIL
Literature Reference Citation J.MED.CHEM.,54,485(2011)
Literature Reference DOI 10.1021/jm101335q
Molecular Weight 723.821 g/mol
Solvent DMSO-D6
Source File Reference UWMZ47138