Vitas-M small molecule compound
2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK047955
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)/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/c1-17-9-12-21(13-10-17)33(29,30)32-23-14-11-19(16-24(23)31-3)15-22-18(2)26-27(25(22)28)20-7-5-4-6-8-20/h4-16H,1-3H3/b22-15+InChIKey
QEVYTESIZOUBRX-PXLXIMEGSA-NSynonyms
(2METHOXY4((E)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)PHENYL)4METHYLBENZENESULFONATE
2METHOXY4((E)(3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENYL4METHYLBENZENESULFONATE
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)OC
COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC25H22N2O5Sc11791221(131017)33(2930)3223141119(1624(23)313)152218(2)2627(25(22)28)207546820h416H13H3b2215+
MFCD03226995
STK047955
ZINC000013943281
ZINC13943281
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