Vitas-M small molecule compound
ethyl {4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-methoxyphenoxy}acetate
Catalog ID
STK087772
SMILES CCOC(=O)COc1ccc(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 C24H22N4O4 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4/c1-5-31-21(29)12-32-19-7-6-15(9-20(19)30-4)8-16-13(2)17(10-25)23-22(16)14(3)18(11-26)24(27)28-23/h6-9H,5,12H2,1-4H3,(H2,27,28)/b16-8-InChIKey
OTRAMYHUEGRGIV-PXNMLYILSA-NSynonyms
(E)ethyl2(4((2amino37dicyano46dimethyl5Hcyclopenta(b)pyridin5ylidene)methyl)2methoxyphenoxy)acetate
CCOC(=O)COC1=C(C=C(C=C1)C=C2C(=C(C3=C2C(=C(C(=N3)N)C#N)C)C#N)C)OC
CCOC(=O)COc1ccc(cc1OC)C=C1C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C
ETHYL(4((2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
ETHYL(4((Z)(2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
ETHYL2(4((Z)(2AMINO37DICYANO46DIMETHYLCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
InChI=1SC24H22N4O4c153121(29)1232197615(920(19)304)81613(2)17(1025)2322(16)14(3)18(1126)24(27)2823h69H512H214H3(H22728)b168
MFCD03700033
STK087772
ZINC000101490309
ZINC101490309
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.