SpectraBase Spectrum ID |
2icoiuUxDCM |
Name |
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-furylmethyl)butanamide |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
549.215823676 u |
Formula |
C27H31N7O4S |
InChI |
InChI=1S/C27H31N7O4S/c1-6-23(26(35)28-15-18-8-7-11-38-18)39-27-29-20-14-22(37-5)21(36-4)13-19(20)25-30-24(32-34(25)27)9-10-33-17(3)12-16(2)31-33/h7-8,11-14,23H,6,9-10,15H2,1-5H3,(H,28,35) |
InChIKey |
VVHJOWBBESYFQA-UHFFFAOYSA-N |
Molecular Weight |
549.650 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_7078 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12329603 |