Vitas-M small molecule compound
ethyl 1-{3-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-3-carboxylate
Catalog ID
STL201052
SMILES CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1/C=C(/C(=O)OC)\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 C22H24N4O5 MW 424.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O5/c1-4-31-22(29)15-8-6-9-25(13-15)19-17(11-16(12-23)21(28)30-3)20(27)26-10-5-7-14(2)18(26)24-19/h5,7,10-11,15H,4,6,8-9,13H2,1-3H3/b16-11+InChIKey
XEZVDRQJPZRISP-LFIBNONCSA-NSynonyms
849921-67-1(E)ethyl1(3(2cyano3methoxy3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
849921671
CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1C=C(C(=O)OC)C#N
CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)OC
ethyl1(3((1E)2cyano3methoxy3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
ETHYL1(3((E)2CYANO3METHOXY3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
InChI=1SC22H24N4O5c143122(29)1586925(1315)1917(1116(1223)21(28)303)20(27)26105714(2)18(26)2419h57101115H468913H213H3b1611+
MFCD03672566
ZINC000009501398
ZINC000009501403
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