Vitas-M small molecule compound

ethyl 1-{3-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate

Catalog ID
STK906263
SMILES CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C(/C(=O)NC)\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 C22H25N5O4 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O4/c1-4-31-22(30)15-7-10-26(11-8-15)19-17(12-16(13-23)20(28)24-3)21(29)27-9-5-6-14(2)18(27)25-19/h5-6,9,12,15H,4,7-8,10-11H2,1-3H3,(H,24,28)/b16-12+
InChIKey
MDPUDJRTYRATKV-FOWTUZBSSA-N
Synonyms
877802-96-5
(E)ethyl1(3(2cyano3(methylamino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
877802965
CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C(C(=O)NC)C#N
CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)NC
ethyl1(3((1E)2cyano3(methylamino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
ETHYL1(3((E)2CYANO3(METHYLAMINO)3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
InChI=1SC22H25N5O4c143122(30)1571026(11815)1917(1216(1323)20(28)243)21(29)2795614(2)18(27)2519h5691215H4781011H213H3(H2428)b1612+
MFCD03670240
ZINC000005575865
ZINC5575865

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Available files

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