Vitas-M small molecule compound
(4E)-4-[4-(benzyloxy)-3-chloro-5-methoxybenzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK003241
SMILES COc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1OCc1ccccc1)Cl
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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 C25H21ClN2O3 MW 432.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O3/c1-17-21(25(29)28(27-17)20-11-7-4-8-12-20)13-19-14-22(26)24(23(15-19)30-2)31-16-18-9-5-3-6-10-18/h3-15H,16H2,1-2H3/b21-13+InChIKey
LRYZFMWPIDLTPZ-FYJGNVAPSA-NSynonyms
(4E)4((3CHLORO5METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(4(BENZYLOXY)3CHLORO5METHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3)OC)C4=CC=CC=C4
COc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)cc(c1OCc1ccccc1)Cl
InChI=1SC25H21ClN2O3c11721(25(29)28(2717)20117481220)13191422(26)24(23(1519)302)31161895361018h315H16H212H3b2113+
MFCD02120834
STK003241
ZINC000100233061
ZINC100233061
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