Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK706813
SMILES CCCCOc1cccc(c1)c1nn(cc1/C=C(\c1nc2c([nH]1)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/c1-2-3-16-35-25-13-9-10-21(18-25)28-23(20-34(33-28)24-11-5-4-6-12-24)17-22(19-30)29-31-26-14-7-8-15-27(26)32-29/h4-15,17-18,20H,2-3,16H2,1H3,(H,31,32)/b22-17-InChIKey
DMEYWMYAWSEGTD-XLNRJJMWSA-NSynonyms
1009190-72-0(2Z)2(1Hbenzimidazol2yl)3(3(3butoxyphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(1Hbenzimidazol2yl)3(3(3butoxyphenyl)1phenylpyrazol4yl)prop2enenitrile
(Z)2(1Hbenzo(d)imidazol2yl)3(3(3butoxyphenyl)1phenyl1Hpyrazol4yl)acrylonitrile
1009190720
CCCCOC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5
CCCCOc1cccc(c1)c1nn(cc1C=C(c1nc2c((nH)1)cccc2)C#N)c1ccccc1
InChI=1SC29H25N5Oc1231635251391021(1825)2823(2034(3328)24115461224)1722(1930)29312614781527(26)3229h415171820H2316H21H3(H3132)b2217
MFCD04033017
ZINC000009191266
ZINC09191266
ZINC9191266
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