Vitas-M small molecule compound
(2E)-2-(4-bromophenyl)-3-{3-[(4-nitrobenzyl)oxy]phenyl}prop-2-enenitrile
Catalog ID
STK292919
SMILES N#C/C(=C/c1cccc(c1)OCc1ccc(cc1)[N+](=O)[O-])/c1ccc(cc1)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 C22H15BrN2O3 MW 435.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15BrN2O3/c23-20-8-6-18(7-9-20)19(14-24)12-17-2-1-3-22(13-17)28-15-16-4-10-21(11-5-16)25(26)27/h1-13H,15H2/b19-12-InChIKey
WWXUSTGYVGTIRI-UNOMPAQXSA-NSynonyms
(2E)2(4BROMOPHENYL)3(3((4NITROBENZYL)OXY)PHENYL)PROP2ENENITRILE
(E)2(4BROMOPHENYL)3(3((4NITROPHENYL)METHOXY)PHENYL)PROP2ENENITRILE
C1=CC(=CC(=C1)OCC2=CC=C(C=C2)(N+)(=O)(O))C=C(C#N)C3=CC=C(C=C3)Br
InChI=1SC22H15BrN2O3c23208618(7920)19(1424)121721322(1317)28151641021(11516)25(26)27h113H15H2b1912
MFCD06626327
N#CC(=Cc1cccc(c1)OCc1ccc(cc1)(N+)(=O)(O))c1ccc(cc1)Br
ZINC000002876403
ZINC02876403
ZINC2876403
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