Vitas-M small molecule compound
(5Z)-2-amino-5-(2-bromo-4-ethoxy-5-methoxybenzylidene)-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Catalog ID
STK112563
SMILES CCOc1cc(Br)c(cc1OC)/C=C\1/C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C
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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 C22H19BrN4O2 MW 451.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN4O2/c1-5-29-19-8-17(23)13(7-18(19)28-4)6-14-11(2)15(9-24)21-20(14)12(3)16(10-25)22(26)27-21/h6-8H,5H2,1-4H3,(H2,26,27)/b14-6-InChIKey
BNRZJIJVKFNTKS-NSIKDUERSA-NSynonyms
(5Z)2amino5((2bromo4ethoxy5methoxyphenyl)methylidene)46dimethylcyclopenta(b)pyridine37dicarbonitrile
(5Z)2AMINO5(2BROMO4ETHOXY5METHOXYBENZYLIDENE)46DIMETHYL5HCYCLOPENTA(B)PYRIDINE37DICARBONITRILE
CCOC1=C(C=C(C(=C1)Br)C=C2C(=C(C3=C2C(=C(C(=N3)N)C#N)C)C#N)C)OC
CCOc1cc(Br)c(cc1OC)C=C1C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C
InChI=1SC22H19BrN4O2c152919817(23)13(718(19)284)61411(2)15(924)2120(14)12(3)16(1025)22(26)2721h68H5H214H3(H22627)b146
MFCD05625437
ZINC000100372746
ZINC100372746
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