Vitas-M small molecule compound
2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile
Catalog ID
STK161773
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)/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 C27H23N3O3 MW 437.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3/c1-3-32-26-16-20(13-14-25(26)33-18-22-10-8-7-9-21(22)17-28)15-24-19(2)29-30(27(24)31)23-11-5-4-6-12-23/h4-16H,3,18H2,1-2H3/b24-15+InChIKey
DYWJKEXIFYRURG-BUVRLJJBSA-NSynonyms
2((2ETHOXY4((E)(3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((2ETHOXY4((E)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCC4=CC=CC=C4C#N
CCOc1cc(ccc1OCc1ccccc1C#N)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC27H23N3O3c1332261620(131425(26)3318221087921(22)1728)152419(2)2930(27(24)31)23115461223h416H318H212H3b2415+
MFCD02120875
ZINC000014009644
ZINC14009644
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