Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-{4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl}prop-2-enenitrile
Catalog ID
STK287237
SMILES N#C/C(=C\c1ccc(cc1)OCC(=O)N1CCN(CC1)c1ccccc1)/c1nc2c([nH]1)cccc2
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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 C28H25N5O2 MW 463.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O2/c29-19-22(28-30-25-8-4-5-9-26(25)31-28)18-21-10-12-24(13-11-21)35-20-27(34)33-16-14-32(15-17-33)23-6-2-1-3-7-23/h1-13,18H,14-17,20H2,(H,30,31)/b22-18+InChIKey
WKCPDUIISXJQLC-RELWKKBWSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(4(2oxo2(4phenylpiperazin1yl)ethoxy)phenyl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(4(2OXO2(4PHENYLPIPERAZIN1YL)ETHOXY)PHENYL)PROP2ENENITRILE
C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)C=C(C#N)C4=NC5=CC=CC=C5N4
InChI=1SC28H25N5O2c291922(283025845926(25)3128)1821101224(131121)352027(34)33161432(151733)236213723h11318H141720H2(H3031)b2218+
MFCD06760503
N#CC(=Cc1ccc(cc1)OCC(=O)N1CCN(CC1)c1ccccc1)c1nc2c((nH)1)cccc2
ZINC000009187335
ZINC09187335
ZINC9187335
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