Vitas-M small molecule compound
(4Z)-4-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK799179
SMILES CCOc1ccc(c(c1)C)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)C)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 C29H26N4O2 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O2/c1-4-35-25-15-16-26(20(2)17-25)28-22(19-32(31-28)23-11-7-5-8-12-23)18-27-21(3)30-33(29(27)34)24-13-9-6-10-14-24/h5-19H,4H2,1-3H3/b27-18-InChIKey
JFYCRYQJHVQVMX-IMRQLAEWSA-NSynonyms
(4Z)4((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4Z)4((3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5)C
CCOc1ccc(c(c1)C)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)C)c1ccccc1
InChI=1SC29H26N4O2c143525151626(20(2)1725)2822(1932(3128)23117581223)182721(3)3033(29(27)34)241396101424h519H4H213H3b2718
MFCD03462317
ZINC000016700762
ZINC16700762
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