![(E)-3-({5-Amino-1-benzoyl-4-[(E)-(4-hydroxyphenyl)diazinyl]-1H-pyrazol-3-yl}imino)-5-(piperidin-1-ylsulfonyl)indolin-2-one](/api/spectrum/1GzKX9iJRmW/structure.png?h=300&w=458 "(E)-3-({5-Amino-1-benzoyl-4-[(E)-(4-hydroxyphenyl)diazinyl]-1H-pyrazol-3-yl}imino)-5-(piperidin-1-ylsulfonyl)indolin-2-one")
| SpectraBase Compound ID | HS9PvdLewiD |
|---|---|
| InChI | InChI=1S/C29H26N8O5S/c30-26-25(34-33-19-9-11-20(38)12-10-19)27(35-37(26)29(40)18-7-3-1-4-8-18)32-24-22-17-21(13-14-23(22)31-28(24)39)43(41,42)36-15-5-2-6-16-36/h1,3-4,7-14,17,38H,2,5-6,15-16,30H2,(H,31,32,35,39)/b34-33+ |
| InChIKey | OUNZHVMRDUJOIZ-JEIPZWNWSA-N |
| Mol Weight | 598.64 g/mol |
| Molecular Formula | C29H26N8O5S |
| Exact Mass | 598.174687 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1GzKX9iJRmW |
|---|---|
| Name | (E)-3-({5-Amino-1-benzoyl-4-[(E)-(4-hydroxyphenyl)diazinyl]-1H-pyrazol-3-yl}imino)-5-(piperidin-1-ylsulfonyl)indolin-2-one |
| Appearance | yellow powder; |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H26N8O5S |
| InChI | InChI=1S/C29H26N8O5S/c30-26-25(34-33-19-9-11-20(38)12-10-19)27(35-37(26)29(40)18-7-3-1-4-8-18)32-24-22-17-21(13-14-23(22)31-28(24)39)43(41,42)36-15-5-2-6-16-36/h1,3-4,7-14,17,38H,2,5-6,15-16,30H2,(H,31,32,35,39)/b34-33+ |
| InChIKey | OUNZHVMRDUJOIZ-JEIPZWNWSA-N |
| Instrument Name | Thermo Scientific ISQLT |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/ardp.202100266 |
| Molecular Weight | 598.638 g/mol |
| SMILES | Nc1c(\N=N\c2ccc(cc2)O)c(n[n]1C(c1ccccc1)=O)\N=C\1C(Nc2c1cc(cc2)S(N1CCCCC1)(=O)=O)=O |
| SPLASH | splash10-0a4i-3914320000-5f7b6c6f685170736637 |
| Source of Spectrum | APC-355-SM30-10a |
| Wiley ID | 1868678 |