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1,1'-(4,4'-AZANEDIYLBIS-(4,1-PHENYLENE))-BIS-(3-(BENZYLOXY)-3-(2-(1,3-DIOXOINDOLIN-2-YL)-ETHYL)-THIOUREA)
SpectraBase Compound ID JVrdVZy27aY
InChI InChI=1S/C48H41N7O6S2/c56-43-39-15-7-8-16-40(39)44(57)52(43)27-29-54(60-31-33-11-3-1-4-12-33)47(62)50-37-23-19-35(20-24-37)49-36-21-25-38(26-22-36)51-48(63)55(61-32-34-13-5-2-6-14-34)30-28-53-45(58)41-17-9-10-18-42(41)46(53)59/h1-26,49H,27-32H2,(H,50,62)(H,51,63)
InChIKey HVJFYQVNCNPPDV-UHFFFAOYSA-N
Mol Weight 876.0 g/mol
Molecular Formula C48H41N7O6S2
Exact Mass 875.255974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8hw0HS7MICa
Name 1,1'-(4,4'-AZANEDIYLBIS-(4,1-PHENYLENE))-BIS-(3-(BENZYLOXY)-3-(2-(1,3-DIOXOINDOLIN-2-YL)-ETHYL)-THIOUREA)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H41N7O6S2
InChI InChI=1S/C48H41N7O6S2/c56-43-39-15-7-8-16-40(39)44(57)52(43)27-29-54(60-31-33-11-3-1-4-12-33)47(62)50-37-23-19-35(20-24-37)49-36-21-25-38(26-22-36)51-48(63)55(61-32-34-13-5-2-6-14-34)30-28-53-45(58)41-17-9-10-18-42(41)46(53)59/h1-26,49H,27-32H2,(H,50,62)(H,51,63)
InChIKey HVJFYQVNCNPPDV-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 876.017 g/mol
Solvent CDCl3
Source File Reference UWMZ47137