Vitas-M small molecule compound
(2E)-2-(1-methyl-1H-benzimidazol-2-yl)-3-[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK822881
SMILES CCCOc1ccc(cc1)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/c1-3-17-35-25-15-13-21(14-16-25)28-23(20-34(32-28)24-9-5-4-6-10-24)18-22(19-30)29-31-26-11-7-8-12-27(26)33(29)2/h4-16,18,20H,3,17H2,1-2H3/b22-18+InChIKey
ZTPXTXOWMJMCPI-RELWKKBWSA-NSynonyms
(2E)2(1methyl1Hbenzimidazol2yl)3(1phenyl3(4propoxyphenyl)1Hpyrazol4yl)prop2enenitrile
(E)2(1methylbenzimidazol2yl)3(1phenyl3(4propoxyphenyl)pyrazol4yl)prop2enenitrile
CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5
CCCOc1ccc(cc1)c1nn(cc1C=C(c1nc2c(n1C)cccc2)C#N)c1ccccc1
InChI=1SC29H25N5Oc13173525151321(141625)2823(2034(3228)2495461024)1822(1930)29312611781227(26)33(29)2h4161820H317H212H3b2218+
MFCD03463468
ZINC000027017776
ZINC27017776
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