![(E)-3-({5-Hydroxy-4-[(E)-(4-hydroxyphenyl)diazinyl]-1H-pyrazol-3-yl}imino)-5-[(4-methylpiperazin-1-yl)sulfonyl]indolin-2-one](/api/spectrum/57LODsWynOH/structure.png?h=300&w=458 "(E)-3-({5-Hydroxy-4-[(E)-(4-hydroxyphenyl)diazinyl]-1H-pyrazol-3-yl}imino)-5-[(4-methylpiperazin-1-yl)sulfonyl]indolin-2-one")
| SpectraBase Compound ID | 5tUXztJAxEd |
|---|---|
| InChI | InChI=1S/C22H22N8O5S/c1-29-8-10-30(11-9-29)36(34,35)15-6-7-17-16(12-15)18(21(32)23-17)24-20-19(22(33)28-27-20)26-25-13-2-4-14(31)5-3-13/h2-7,12,31H,8-11H2,1H3,(H3,23,24,27,28,32,33)/b26-25+ |
| InChIKey | JPQOUSBNIRAJTB-OCEACIFDSA-N |
| Mol Weight | 510.53 g/mol |
| Molecular Formula | C22H22N8O5S |
| Exact Mass | 510.143387 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 57LODsWynOH |
|---|---|
| Name | (E)-3-({5-Hydroxy-4-[(E)-(4-hydroxyphenyl)diazinyl]-1H-pyrazol-3-yl}imino)-5-[(4-methylpiperazin-1-yl)sulfonyl]indolin-2-one |
| Appearance | Brown powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H22N8O5S |
| InChI | InChI=1S/C22H22N8O5S/c1-29-8-10-30(11-9-29)36(34,35)15-6-7-17-16(12-15)18(21(32)23-17)24-20-19(22(33)28-27-20)26-25-13-2-4-14(31)5-3-13/h2-7,12,31H,8-11H2,1H3,(H3,23,24,27,28,32,33)/b26-25+ |
| InChIKey | JPQOUSBNIRAJTB-OCEACIFDSA-N |
| Instrument Name | Thermo Scientific ISQLT |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/ardp.202100266 |
| Molecular Weight | 510.529 g/mol |
| SMILES | Oc1c(c(\N=C\2C(Nc3c2cc(cc3)S(N2CCN(CC2)C)(=O)=O)=O)n[nH]1)\N=N\c1ccc(cc1)O |
| SPLASH | splash10-08iu-9638230000-8023e9c74f30622f5209 |
| Source of Spectrum | APC-355-SM18-8d |
| Wiley ID | 1868681 |