Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-{5-bromo-2-[(4-nitrobenzyl)oxy]phenyl}prop-2-enenitrile
Catalog ID
STK287705
SMILES N#C/C(=C/c1cc(Br)ccc1OCc1ccc(cc1)[N+](=O)[O-])/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 C23H15BrN4O3 MW 475.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15BrN4O3/c24-18-7-10-22(31-14-15-5-8-19(9-6-15)28(29)30)16(12-18)11-17(13-25)23-26-20-3-1-2-4-21(20)27-23/h1-12H,14H2,(H,26,27)/b17-11-InChIKey
XOKJNSKUYMLFSA-BOPFTXTBSA-NSynonyms
(2Z)2(1Hbenzimidazol2yl)3(5bromo2((4nitrobenzyl)oxy)phenyl)prop2enenitrile
(Z)2(1HBENZIMIDAZOL2YL)3(5BROMO2((4NITROPHENYL)METHOXY)PHENYL)PROP2ENENITRILE
C1=CC=C2C(=C1)NC(=N2)C(=CC3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)(N+)(=O)(O))C#N
InChI=1SC23H15BrN4O3c241871022(3114155819(9615)28(29)30)16(1218)1117(1325)232620312421(20)2723h112H14H2(H2627)b1711
MFCD04214152
N#CC(=Cc1cc(Br)ccc1OCc1ccc(cc1)(N+)(=O)(O))c1nc2c((nH)1)cccc2
ZINC000013943564
ZINC13943564
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