Vitas-M small molecule compound

2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl benzenesulfonate

Catalog ID
STK085092
SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccccc1)/C=C/1\C(=NN(C1=O)c1ccccc1)C

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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 C25H22N2O5S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5S/c1-3-31-24-17-19(14-15-23(24)32-33(29,30)21-12-8-5-9-13-21)16-22-18(2)26-27(25(22)28)20-10-6-4-7-11-20/h4-17H,3H2,1-2H3/b22-16+
InChIKey
CUBZUHVRFFZSIJ-CJLVFECKSA-N
Synonyms

(2ETHOXY4((E)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)PHENYL)BENZENESULFONATE
2ETHOXY4((E)(3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENYLBENZENESULFONATE
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OS(=O)(=O)C4=CC=CC=C4
CCOc1cc(ccc1OS(=O)(=O)c1ccccc1)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC25H22N2O5Sc1331241719(141523(24)3233(2930)21128591321)162218(2)2627(25(22)28)20106471120h417H3H212H3b2216+
MFCD03227918
STK085092
ZINC000013893820
ZINC13893820

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Available files

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