Vitas-M small molecule compound
(5E)-2-amino-5-{3-bromo-4-[(2-cyanobenzyl)oxy]benzylidene}-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Catalog ID
STK396947
SMILES N#CC1=C(C)/C(=C\c2ccc(c(c2)Br)OCc2ccccc2C#N)/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 C27H18BrN5O MW 508.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18BrN5O/c1-15-20(25-16(2)22(13-31)27(32)33-26(25)21(15)12-30)9-17-7-8-24(23(28)10-17)34-14-19-6-4-3-5-18(19)11-29/h3-10H,14H2,1-2H3,(H2,32,33)/b20-9+InChIKey
YRUSATLJQOTHIK-AWQFTUOYSA-NSynonyms
(5E)2AMINO5((3BROMO4((2CYANOPHENYL)METHOXY)PHENYL)METHYLIDENE)46DIMETHYLCYCLOPENTA(B)PYRIDINE37DICARBONITRILE
(5E)2amino5(3bromo4((2cyanobenzyl)oxy)benzylidene)46dimethyl5Hcyclopenta(b)pyridine37dicarbonitrile
(Z)2amino5(3bromo4((2cyanobenzyl)oxy)benzylidene)46dimethyl5Hcyclopenta(b)pyridine37dicarbonitrile
CC1=C(C2=C(C1=CC3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)Br)C(=C(C(=N2)N)C#N)C)C#N
InChI=1SC27H18BrN5Oc11520(2516(2)22(1331)27(32)3326(25)21(15)1230)9177824(23(28)1017)341419643518(19)1129h310H14H212H3(H23233)b209+
MFCD02193820
N#CC1=C(C)C(=Cc2ccc(c(c2)Br)OCc2ccccc2C#N)c2c1nc(N)c(c2C)C#N
ZINC000023411424
ZINC23411424
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