Vitas-M small molecule compound

ethyl 4-(3-cyano-2,5-dioxo-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-1(5H)-yl)benzoate

Catalog ID
STK906622
SMILES CCOC(=O)c1ccc(cc1)n1c(=O)c(C#N)cc2c1nc1ccccn1c2=O

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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 C21H14N4O4 MW 386.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N4O4/c1-2-29-21(28)13-6-8-15(9-7-13)25-18-16(11-14(12-22)19(25)26)20(27)24-10-4-3-5-17(24)23-18/h3-11H,2H2,1H3
InChIKey
UYACXKVHKSEGBS-UHFFFAOYSA-N
Synonyms
891032-52-3
891032523
CCOC(=O)C1=CC=C(C=C1)N2C3=C(C=C(C2=O)C#N)C(=O)N4C=CC=CC4=N3
ethyl4(3cyano25dioxo2Hdipyrido(12a23d)pyrimidin1(5H)yl)benzoate
ethyl4(3cyano25dioxodipyrido(12d34f)pyrimidin1yl)benzoate
InChI=1SC21H14N4O4c122921(28)136815(9713)251816(1114(1222)19(25)26)20(27)241043517(24)2318h311H2H21H3
MFCD14810943
ZINC000005152391
ZINC5152391

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Available files

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