Vitas-M small molecule compound
(2E)-3-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-phenylprop-2-enenitrile
Catalog ID
STK195927
SMILES COc1cc(/C=C(\c2ccccc2)/C#N)cc(c1OCc1ccc(cc1)[N+](=O)[O-])Cl
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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 C23H17ClN2O4 MW 420.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O4/c1-29-22-13-17(11-19(14-25)18-5-3-2-4-6-18)12-21(24)23(22)30-15-16-7-9-20(10-8-16)26(27)28/h2-13H,15H2,1H3/b19-11-InChIKey
RSIRRPCXPLKRSU-ODLFYWEKSA-NSynonyms
(2E)3(3CHLORO5METHOXY4((4NITROBENZYL)OXY)PHENYL)2PHENYLPROP2ENENITRILE
(E)3(3CHLORO5METHOXY4((4NITROPHENYL)METHOXY)PHENYL)2PHENYLPROP2ENENITRILE
COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=CC=C2)Cl)OCC3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(C=C(c2ccccc2)C#N)cc(c1OCc1ccc(cc1)(N+)(=O)(O))Cl
InChI=1SC23H17ClN2O4c129221317(1119(1425)185324618)1221(24)23(22)3015167920(10816)26(27)28h213H15H21H3b1911
MFCD06003188
ZINC000003105581
ZINC03105581
ZINC3105581
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