Vitas-M small molecule compound
(4Z)-4-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK706439
SMILES CCOc1ccc(cc1C)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/c1-4-35-27-16-15-22(17-20(27)2)28-23(19-32(31-28)24-11-7-5-8-12-24)18-26-21(3)30-33(29(26)34)25-13-9-6-10-14-25/h5-19H,4H2,1-3H3/b26-18-InChIKey
AXJALXXXWSQMRV-ITYLOYPMSA-NSynonyms
(4Z)4((3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4Z)4((3(4ETHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(Z)4((3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3methyl1phenyl1Hpyrazol5(4H)one
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5)C
CCOc1ccc(cc1C)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)C)c1ccccc1
InChI=1SC29H26N4O2c143527161522(1720(27)2)2823(1932(3128)24117581224)182621(3)3033(29(26)34)251396101425h519H4H213H3b2618
MFCD02985952
ZINC000009066465
ZINC09066465
ZINC9066465
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