Vitas-M small molecule compound
(2Z)-3-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-2-(4-nitrophenyl)prop-2-enenitrile
Catalog ID
STK075353
SMILES COc1cc(/C=C(/c2ccc(cc2)[N+](=O)[O-])\C#N)cc(c1OCc1ccccc1)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 C23H17BrN2O4 MW 465.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN2O4/c1-29-22-13-17(11-19(14-25)18-7-9-20(10-8-18)26(27)28)12-21(24)23(22)30-15-16-5-3-2-4-6-16/h2-13H,15H2,1H3/b19-11+InChIKey
IQHYEQYBCBEHSP-YBFXNURJSA-NSynonyms
(2Z)3(4(BENZYLOXY)3BROMO5METHOXYPHENYL)2(4NITROPHENYL)PROP2ENENITRILE
(Z)3(3BROMO5METHOXY4PHENYLMETHOXYPHENYL)2(4NITROPHENYL)PROP2ENENITRILE
COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)(N+)(=O)(O))Br)OCC3=CC=CC=C3
COc1cc(C=C(c2ccc(cc2)(N+)(=O)(O))C#N)cc(c1OCc1ccccc1)Br
InChI=1SC23H17BrN2O4c129221317(1119(1425)187920(10818)26(27)28)1221(24)23(22)3015165324616h213H15H21H3b1911+
MFCD02205577
STK075353
ZINC000013899250
ZINC13899250
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