Vitas-M small molecule compound

(2Z)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Catalog ID
STK823484
SMILES CCOc1ccc(cc1C)c1nn(cc1/C=C(\c1nc2c(n1C)cccc2)/C#N)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 C29H25N5O MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O/c1-4-35-27-15-14-21(16-20(27)2)28-23(19-34(32-28)24-10-6-5-7-11-24)17-22(18-30)29-31-25-12-8-9-13-26(25)33(29)3/h5-17,19H,4H2,1-3H3/b22-17-
InChIKey
WHXVCDKITZCTHT-XLNRJJMWSA-N
Synonyms

(2Z)3(3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)2(1methyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)2(1methyl1Hbenzo(d)imidazol2yl)acrylonitrile
(Z)3(3(4ethoxy3methylphenyl)1phenylpyrazol4yl)2(1methylbenzimidazol2yl)prop2enenitrile
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5)C
CCOc1ccc(cc1C)c1nn(cc1C=C(c1nc2c(n1C)cccc2)C#N)c1ccccc1
InChI=1SC29H25N5Oc143527151421(1620(27)2)2823(1934(3228)24106571124)1722(1830)29312512891326(25)33(29)3h51719H4H213H3b2217
MFCD03463988
ZINC000027019820
ZINC27019820

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Available files

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