![(E)-3-({5-Amino-4-[(E)-(4-hydroxyphenyl)diazinyl]-1H-pyrazol-3-yl}imino)-5-[(4-methylpiperazin-1-yl)sulfonyl]indolin-2-one](/api/spectrum/GKsc8RnYrYH/structure.png?h=300&w=458 "(E)-3-({5-Amino-4-[(E)-(4-hydroxyphenyl)diazinyl]-1H-pyrazol-3-yl}imino)-5-[(4-methylpiperazin-1-yl)sulfonyl]indolin-2-one")
| SpectraBase Compound ID | 7ldCFr4sT5U |
|---|---|
| InChI | InChI=1S/C22H23N9O4S/c1-30-8-10-31(11-9-30)36(34,35)15-6-7-17-16(12-15)18(22(33)24-17)25-21-19(20(23)28-29-21)27-26-13-2-4-14(32)5-3-13/h2-7,12,32H,8-11H2,1H3,(H4,23,24,25,28,29,33)/b27-26+ |
| InChIKey | GKZYFPLTRCRZMS-CYYJNZCTSA-N |
| Mol Weight | 509.55 g/mol |
| Molecular Formula | C22H23N9O4S |
| Exact Mass | 509.159371 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GKsc8RnYrYH |
|---|---|
| Name | (E)-3-({5-Amino-4-[(E)-(4-hydroxyphenyl)diazinyl]-1H-pyrazol-3-yl}imino)-5-[(4-methylpiperazin-1-yl)sulfonyl]indolin-2-one |
| Appearance | Dark brown powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H23N9O4S |
| InChI | InChI=1S/C22H23N9O4S/c1-30-8-10-31(11-9-30)36(34,35)15-6-7-17-16(12-15)18(22(33)24-17)25-21-19(20(23)28-29-21)27-26-13-2-4-14(32)5-3-13/h2-7,12,32H,8-11H2,1H3,(H4,23,24,25,28,29,33)/b27-26+ |
| InChIKey | GKZYFPLTRCRZMS-CYYJNZCTSA-N |
| Instrument Name | Thermo Scientific ISQLT |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/ardp.202100266 |
| Molecular Weight | 509.545 g/mol |
| SMILES | Nc1c(c(\N=C\2C(Nc3c2cc(cc3)S(N2CCN(CC2)C)(=O)=O)=O)n[nH]1)\N=N\c1ccc(cc1)O |
| SPLASH | splash10-06r2-0985720000-273bd2663c1a9f4e4441 |
| Source of Spectrum | APC-355-SM15-8c |
| Wiley ID | 1868680 |