Vitas-M small molecule compound
(5Z)-2-amino-4,6-dimethyl-5-{4-[(4-methylbenzyl)oxy]benzylidene}-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Catalog ID
STK111608
SMILES N#CC1=C(C)/C(=C/c2ccc(cc2)OCc2ccc(cc2)C)/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 C27H22N4O MW 418.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O/c1-16-4-6-20(7-5-16)15-32-21-10-8-19(9-11-21)12-22-17(2)23(13-28)26-25(22)18(3)24(14-29)27(30)31-26/h4-12H,15H2,1-3H3,(H2,30,31)/b22-12-InChIKey
XUEXSJPWTUADEH-UUYOSTAYSA-NSynonyms
(5Z)2amino46dimethyl5((4((4methylphenyl)methoxy)phenyl)methylidene)cyclopenta(b)pyridine37dicarbonitrile
(5Z)2AMINO46DIMETHYL5(4((4METHYLBENZYL)OXY)BENZYLIDENE)5HCYCLOPENTA(B)PYRIDINE37DICARBONITRILE
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C=C3C(=C(C4=C3C(=C(C(=N4)N)C#N)C)C#N)C
InChI=1SC27H22N4Oc1164620(7516)15322110819(91121)122217(2)23(1328)2625(22)18(3)24(1429)27(30)3126h412H15H213H3(H23031)b2212
MFCD05625435
N#CC1=C(C)C(=Cc2ccc(cc2)OCc2ccc(cc2)C)c2c1nc(N)c(c2C)C#N
ZINC000100374036
ZINC100374036
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