![2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]acetamide](/api/spectrum/CFJetLbAoAw/structure.png?h=300&w=458 "2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]acetamide")
| SpectraBase Compound ID | DeF7att7qaY |
|---|---|
| InChI | InChI=1S/C25H25FN4O5S2/c1-16-6-7-17(12-22(16)37(33,34)30-8-10-35-11-9-30)28-24(32)15-36-25-20(14-27)19(13-23(31)29-25)18-4-2-3-5-21(18)26/h2-7,12,19H,8-11,13,15H2,1H3,(H,28,32)(H,29,31) |
| InChIKey | UXDXKJKMRSIMGU-UHFFFAOYSA-N |
| Mol Weight | 544.62 g/mol |
| Molecular Formula | C25H25FN4O5S2 |
| Exact Mass | 544.12504 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | CFJetLbAoAw |
|---|---|
| Name | 2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]acetamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 544.125040427 u |
| Formula | C25H25FN4O5S2 |
| InChI | InChI=1S/C25H25FN4O5S2/c1-16-6-7-17(12-22(16)37(33,34)30-8-10-35-11-9-30)28-24(32)15-36-25-20(14-27)19(13-23(31)29-25)18-4-2-3-5-21(18)26/h2-7,12,19H,8-11,13,15H2,1H3,(H,28,32)(H,29,31) |
| InChIKey | UXDXKJKMRSIMGU-UHFFFAOYSA-N |
| Molecular Weight | 544.616 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1747 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12278341 |