Vitas-M small molecule compound

ethyl 4-{5-[(Z)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}benzoate

Catalog ID
STK877727
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/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 C26H20N4O3 MW 436.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O3/c1-4-32-26(31)17-7-5-16(6-8-17)22-10-9-18(33-22)11-19-14(2)20(12-27)24-23(19)15(3)21(13-28)25(29)30-24/h5-11H,4H2,1-3H3,(H2,29,30)/b19-11-
InChIKey
NSVAPMNMHQDGJH-ODLFYWEKSA-N
Synonyms

(Z)ethyl4(5((2amino37dicyano46dimethyl5Hcyclopenta(b)pyridin5ylidene)methyl)furan2yl)benzoate
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=C(C4=C3C(=C(C(=N4)N)C#N)C)C#N)C
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C
ETHYL4(5((2AMINO37DICYANO46DIMETHYL5HCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)2FURYL)BENZOATE
ethyl4(5((Z)(2amino37dicyano46dimethyl5Hcyclopenta(b)pyridin5ylidene)methyl)furan2yl)benzoate
ETHYL4(5((Z)(2AMINO37DICYANO46DIMETHYLCYCLOPENTA(B)PYRIDIN5YLIDENE)METHYL)FURAN2YL)BENZOATE
InChI=1SC26H20N4O3c143226(31)177516(6817)2210918(3322)111914(2)20(1227)2423(19)15(3)21(1328)25(29)3024h511H4H213H3(H22930)b1911
MFCD01648348
ZINC000100195494
ZINC100195494

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.