Vitas-M small molecule compound
(2Z)-3-[5-(azepan-1-yl)furan-2-yl]-2-(5-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK201877
SMILES N#C/C(=C/c1ccc(o1)N1CCCCCC1)/c1nc2c([nH]1)ccc(c2)OC
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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 C21H22N4O2 MW 362.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2/c1-26-16-6-8-18-19(13-16)24-21(23-18)15(14-22)12-17-7-9-20(27-17)25-10-4-2-3-5-11-25/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,24)/b15-12-InChIKey
RTDMWSZMUTVMFQ-QINSGFPZSA-NSynonyms
(2Z)3(5(AZEPAN1YL)FURAN2YL)2(5METHOXY1HBENZIMIDAZOL2YL)PROP2ENENITRILE
(Z)3(5(AZEPAN1YL)FURAN2YL)2(6METHOXY1HBENZIMIDAZOL2YL)PROP2ENENITRILE
COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(O3)N4CCCCCC4)C#N
InChI=1SC21H22N4O2c12616681819(1316)2421(2318)15(1422)12177920(2717)251042351125h691213H251011H21H3(H2324)b1512
MFCD06002758
N#CC(=Cc1ccc(o1)N1CCCCCC1)c1nc2c((nH)1)ccc(c2)OC
ZINC000004739922
ZINC04739922
ZINC4739922
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