Vitas-M small molecule compound
(2E)-3-{2-bromo-5-methoxy-4-[(3-nitrobenzyl)oxy]phenyl}-2-(3-fluorophenyl)prop-2-enenitrile
Catalog ID
STK201608
SMILES N#C/C(=C/c1cc(OC)c(cc1Br)OCc1cccc(c1)[N+](=O)[O-])/c1cccc(c1)F
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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 C23H16BrFN2O4 MW 483.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16BrFN2O4/c1-30-22-11-17(9-18(13-26)16-5-3-6-19(25)10-16)21(24)12-23(22)31-14-15-4-2-7-20(8-15)27(28)29/h2-12H,14H2,1H3/b18-9-InChIKey
QYPAKCKTFPTVFA-NVMNQCDNSA-NSynonyms
(2E)3(2BROMO5METHOXY4((3NITROBENZYL)OXY)PHENYL)2(3FLUOROPHENYL)PROP2ENENITRILE
(E)3(2BROMO5METHOXY4((3NITROPHENYL)METHOXY)PHENYL)2(3FLUOROPHENYL)PROP2ENENITRILE
COC1=C(C=C(C(=C1)C=C(C#N)C2=CC(=CC=C2)F)Br)OCC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC23H16BrFN2O4c130221117(918(1326)1653619(25)1016)21(24)1223(22)31141542720(815)27(28)29h212H14H21H3b189
MFCD06626070
N#CC(=Cc1cc(OC)c(cc1Br)OCc1cccc(c1)(N+)(=O)(O))c1cccc(c1)F
ZINC000012393091
ZINC12393091
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