Vitas-M small molecule compound
(2E)-3-{3-bromo-4-[(4-chlorobenzyl)oxy]phenyl}-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
Catalog ID
STK522753
SMILES N#C/C(=C\c1ccc(c(c1)Br)OCc1ccc(cc1)Cl)/C(=O)Nc1cc(C)ccc1C
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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 C25H20BrClN2O2 MW 495.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrClN2O2/c1-16-3-4-17(2)23(11-16)29-25(30)20(14-28)12-19-7-10-24(22(26)13-19)31-15-18-5-8-21(27)9-6-18/h3-13H,15H2,1-2H3,(H,29,30)/b20-12+InChIKey
ZKDZMRGXDOXCAO-UDWIEESQSA-NSynonyms
(2E)3(3bromo4((4chlorobenzyl)oxy)phenyl)2cyanoN(25dimethylphenyl)prop2enamide
(E)3(3BROMO4((4CHLOROPHENYL)METHOXY)PHENYL)2CYANON(25DIMETHYLPHENYL)PROP2ENAMIDE
CC1=CC(=C(C=C1)C)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)Br)C#N
InChI=1SC25H20BrClN2O2c1163417(2)23(1116)2925(30)20(1428)121971024(22(26)1319)3115185821(27)9618h313H15H212H3(H2930)b2012+
MFCD02784761
N#CC(=Cc1ccc(c(c1)Br)OCc1ccc(cc1)Cl)C(=O)Nc1cc(C)ccc1C
ZINC000003232160
ZINC03232160
ZINC3232160
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