Vitas-M small molecule compound
(5E)-2-amino-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Catalog ID
STK169459
SMILES N#CC1=C(C)/C(=C\c2cc3OCOc3cc2Br)/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 C20H13BrN4O2 MW 421.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13BrN4O2/c1-9-12(3-11-4-16-17(5-15(11)21)27-8-26-16)18-10(2)14(7-23)20(24)25-19(18)13(9)6-22/h3-5H,8H2,1-2H3,(H2,24,25)/b12-3+InChIKey
XKHHQVJWIGFYNX-KGVSQERTSA-NSynonyms
(5E)2AMINO5((6BROMO13BENZODIOXOL5YL)METHYLIDENE)46DIMETHYL5HCYCLOPENTA(B)PYRIDINE37DICARBONITRILE
(5E)2AMINO5((6BROMO13BENZODIOXOL5YL)METHYLIDENE)46DIMETHYLCYCLOPENTA(B)PYRIDINE37DICARBONITRILE
2AMINO5((6BROMO(2HBENZO(D)13DIOXOLAN5YL))METHYLENE)46DIMETHYLCYCLOPENTA(21B)PYRIDINE37DICARBONITRILE
CC1=C(C2=C(C1=CC3=CC4=C(C=C3Br)OCO4)C(=C(C(=N2)N)C#N)C)C#N
InChI=1SC20H13BrN4O2c1912(31141617(515(11)21)2782616)1810(2)14(723)20(24)2519(18)13(9)622h35H8H212H3(H22425)b123+
MFCD03548666
N#CC1=C(C)C(=Cc2cc3OCOc3cc2Br)c2c1nc(N)c(c2C)C#N
ZINC000018270726
ZINC18270726
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