Vitas-M small molecule compound
ethyl 1-{3-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-3-carboxylate
Catalog ID
STK906261
SMILES CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1/C=C(/C(=O)N)\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 C21H23N5O4 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4/c1-3-30-21(29)14-7-5-8-25(12-14)19-16(10-15(11-22)17(23)27)20(28)26-9-4-6-13(2)18(26)24-19/h4,6,9-10,14H,3,5,7-8,12H2,1-2H3,(H2,23,27)/b15-10+InChIKey
QKEZNYBUJZWOHE-XNTDXEJSSA-NSynonyms
850745-10-7(E)ethyl1(3(3amino2cyano3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
850745107
CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1C=C(C(=O)N)C#N
CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)N
ethyl1(3((1E)3amino2cyano3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
ETHYL1(3((E)3AMINO2CYANO3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
InChI=1SC21H23N5O4c133021(29)1475825(1214)1916(1015(1122)17(23)27)20(28)2694613(2)18(26)2419h4691014H357812H212H3(H22327)b1510+
MFCD03671768
ZINC000002405054
ZINC000005529652
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