Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[3-nitro-4-(piperidin-1-yl)phenyl]prop-2-enenitrile
Catalog ID
STL436486
SMILES N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)/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 C21H19N5O2 MW 373.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O2/c22-14-16(21-23-17-6-2-3-7-18(17)24-21)12-15-8-9-19(20(13-15)26(27)28)25-10-4-1-5-11-25/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,23,24)/b16-12+InChIKey
YKUWVLSQVPCNKU-FOWTUZBSSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(3nitro4(piperidin1yl)phenyl)prop2enenitrile
(2E)2BENZIMIDAZOL2YL3(3NITRO4PIPERIDYLPHENYL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(3NITRO4PIPERIDIN1YLPHENYL)PROP2ENENITRILE
C1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)(N+)(=O)(O)
InChI=1SC21H19N5O2c221416(212317623718(17)2421)12158919(20(1315)26(27)28)25104151125h23691213H1451011H2(H2324)b1612+
MFCD01100417
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))N1CCCCC1)c1nc2c((nH)1)cccc2
ZINC05338563
ZINC5338563
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