Vitas-M small molecule compound
(5E)-2-amino-5-{3-bromo-4-[(4-fluorobenzyl)oxy]benzylidene}-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Catalog ID
STK078651
SMILES N#CC1=C(C)/C(=C\c2ccc(c(c2)Br)OCc2ccc(cc2)F)/c2c1nc(N)c(c2C)C#N
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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 C26H18BrFN4O MW 501.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18BrFN4O/c1-14-19(24-15(2)21(12-30)26(31)32-25(24)20(14)11-29)9-17-5-8-23(22(27)10-17)33-13-16-3-6-18(28)7-4-16/h3-10H,13H2,1-2H3,(H2,31,32)/b19-9+InChIKey
SCVSBBGHAPDZJM-DJKKODMXSA-NSynonyms
(5E)2AMINO5((3BROMO4((4FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)46DIMETHYLCYCLOPENTA(B)PYRIDINE37DICARBONITRILE
(5E)2AMINO5(3BROMO4((4FLUOROBENZYL)OXY)BENZYLIDENE)46DIMETHYL5HCYCLOPENTA(B)PYRIDINE37DICARBONITRILE
(Z)2amino5(3bromo4((4fluorobenzyl)oxy)benzylidene)46dimethyl5Hcyclopenta(b)pyridine37dicarbonitrile
CC1=C(C2=C(C1=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)Br)C(=C(C(=N2)N)C#N)C)C#N
InChI=1SC26H18BrFN4Oc11419(2415(2)21(1230)26(31)3225(24)20(14)1129)9175823(22(27)1017)3313163618(28)7416h310H13H212H3(H23132)b199+
MFCD02194489
N#CC1=C(C)C(=Cc2ccc(c(c2)Br)OCc2ccc(cc2)F)c2c1nc(N)c(c2C)C#N
STK078651
ZINC000018136373
ZINC18136373
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