Vitas-M small molecule compound
(2E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-[3-nitro-4-(piperidin-1-yl)phenyl]prop-2-enenitrile
Catalog ID
STL431220
SMILES N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)/c1nc2c([nH]1)cc(cc2)C
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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 C22H21N5O2 MW 387.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O2/c1-15-5-7-18-19(11-15)25-22(24-18)17(14-23)12-16-6-8-20(21(13-16)27(28)29)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10H2,1H3,(H,24,25)/b17-12+InChIKey
WLPODNUCECUFHZ-SFQUDFHCSA-NSynonyms
(2E)2(6methyl1Hbenzimidazol2yl)3(3nitro4(piperidin1yl)phenyl)prop2enenitrile
(E)2(6METHYL1HBENZIMIDAZOL2YL)3(3NITRO4PIPERIDIN1YLPHENYL)PROP2ENENITRILE
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)N4CCCCC4)(N+)(=O)(O))C#N
InChI=1SC22H21N5O2c115571819(1115)2522(2418)17(1423)12166820(21(1316)27(28)29)2693241026h581113H24910H21H3(H2425)b1712+
MFCD01446254
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))N1CCCCC1)c1nc2c((nH)1)cc(cc2)C
ZINC000005387297
ZINC05387297
ZINC5387297
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