Vitas-M small molecule compound
4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl 4-fluorobenzenesulfonate
Catalog ID
STK378464
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)F)/C=C/1\C(=O)NN(C1=O)c1ccccc1
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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 C23H17FN2O6S MW 468.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17FN2O6S/c1-31-21-14-15(7-12-20(21)32-33(29,30)18-10-8-16(24)9-11-18)13-19-22(27)25-26(23(19)28)17-5-3-2-4-6-17/h2-14H,1H3,(H,25,27)/b19-13+InChIKey
ZJQBOSSKPNSZID-CPNJWEJPSA-NSynonyms
(4((E)(35DIOXO1PHENYLPYRAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENYL)4FLUOROBENZENESULFONATE
4((35DIOXO1PHENYL(12DIAZOLIDIN4YLIDENE))METHYL)2METHOXYPHENYL4FLUOROBENZENESULFONATE
4((E)(35dioxo1phenylpyrazolidin4ylidene)methyl)2methoxyphenyl4fluorobenzenesulfonate
COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F
COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)F)C=C1C(=O)NN(C1=O)c1ccccc1
InChI=1SC23H17FN2O6Sc131211415(71220(21)3233(2930)1810816(24)91118)131922(27)2526(23(19)28)175324617h214H1H3(H2527)b1913+
MFCD02187563
ZINC000008842998
ZINC08842998
ZINC8842998
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