Vitas-M small molecule compound
ethyl 1-{3-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-3-carboxylate
Catalog ID
STK906226
SMILES CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1/C=C(/C(=O)OCC)\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 C23H26N4O5 MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O5/c1-4-31-22(29)16-9-7-10-26(14-16)20-18(12-17(13-24)23(30)32-5-2)21(28)27-11-6-8-15(3)19(27)25-20/h6,8,11-12,16H,4-5,7,9-10,14H2,1-3H3/b17-12+InChIKey
QXUATKMFVUBQML-SFQUDFHCSA-NSynonyms
877799-88-7(E)ethyl1(3(2cyano3ethoxy3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
877799887
CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1C=C(C(=O)OCC)C#N
CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)OCC
ethyl1(3((1E)2cyano3ethoxy3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
ETHYL1(3((E)2CYANO3ETHOXY3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
InChI=1SC23H26N4O5c143122(29)16971026(1416)2018(1217(1324)23(30)3252)21(28)27116815(3)19(27)2520h68111216H45791014H213H3b1712+
MFCD03670197
ZINC000009345904
ZINC000009345905
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