Vitas-M small molecule compound
(2Z)-3-{3-bromo-4-[(4-iodobenzyl)oxy]phenyl}-2-cyano-N-(4-ethylphenyl)prop-2-enamide
Catalog ID
STK186245
SMILES N#C/C(=C/c1ccc(c(c1)Br)OCc1ccc(cc1)I)/C(=O)Nc1ccc(cc1)CC
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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 C25H20BrIN2O2 MW 587.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrIN2O2/c1-2-17-5-10-22(11-6-17)29-25(30)20(15-28)13-19-7-12-24(23(26)14-19)31-16-18-3-8-21(27)9-4-18/h3-14H,2,16H2,1H3,(H,29,30)/b20-13-InChIKey
YJNUIXANNAPMGY-MOSHPQCFSA-NSynonyms
(2Z)3(3BROMO4((4IODOBENZYL)OXY)PHENYL)2CYANON(4ETHYLPHENYL)PROP2ENAMIDE
(Z)3(3bromo4((4iodophenyl)methoxy)phenyl)2cyanoN(4ethylphenyl)prop2enamide
CCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)I)Br)C#N
InChI=1SC25H20BrIN2O2c121751022(11617)2925(30)20(1528)131971224(23(26)1419)3116183821(27)9418h314H216H21H3(H2930)b2013
MFCD02193821
N#CC(=Cc1ccc(c(c1)Br)OCc1ccc(cc1)I)C(=O)Nc1ccc(cc1)CC
ZINC000097960770
ZINC97960770
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