Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-{2-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}prop-2-enenitrile
Catalog ID
STK287685
SMILES COc1cc(/C=C(/c2nc3c([nH]2)cccc3)\C#N)c(cc1OCc1ccc(cc1)[N+](=O)[O-])Br
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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 C24H17BrN4O4 MW 505.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17BrN4O4/c1-32-22-11-16(10-17(13-26)24-27-20-4-2-3-5-21(20)28-24)19(25)12-23(22)33-14-15-6-8-18(9-7-15)29(30)31/h2-12H,14H2,1H3,(H,27,28)/b17-10+InChIKey
FZLNNRSQAHNHFT-LICLKQGHSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(2bromo5methoxy4((4nitrobenzyl)oxy)phenyl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(2BROMO5METHOXY4((4NITROPHENYL)METHOXY)PHENYL)PROP2ENENITRILE
COC1=C(C=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OCC4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(C=C(c2nc3c((nH)2)cccc3)C#N)c(cc1OCc1ccc(cc1)(N+)(=O)(O))Br
InChI=1SC24H17BrN4O4c132221116(1017(1326)242720423521(20)2824)19(25)1223(22)3314156818(9715)29(30)31h212H14H21H3(H2728)b1710+
MFCD05149686
ZINC000009187075
ZINC09187075
ZINC9187075
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