Vitas-M small molecule compound
4-[(E)-(3-hydroxy-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-2-methoxyphenyl benzenesulfonate
Catalog ID
STK742160
SMILES COc1cc(ccc1OS(=O)(=O)c1ccccc1)/C=C/1\C(=NN(C1=O)c1ccccc1)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H18N2O6S MW 450.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O6S/c1-30-21-15-16(12-13-20(21)31-32(28,29)18-10-6-3-7-11-18)14-19-22(26)24-25(23(19)27)17-8-4-2-5-9-17/h2-15H,1H3,(H,24,26)/b19-14+InChIKey
FNFBQNZSTHCMMI-XMHGGMMESA-NSynonyms
(4((E)(35DIOXO1PHENYLPYRAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENYL)BENZENESULFONATE
4((E)(3hydroxy5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)2methoxyphenylbenzenesulfonate
COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4
COc1cc(ccc1OS(=O)(=O)c1ccccc1)C=C1C(=NN(C1=O)c1ccccc1)O
InChI=1SC23H18N2O6Sc130211516(121320(21)3132(2829)18106371118)141922(26)2425(23(19)27)178425917h215H1H3(H2426)b1914+
MFCD13371863
ZINC000002237444
ZINC02237444
ZINC2237444
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