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-4-carboxylate
Catalog ID
STK881087
SMILES CCOC(=O)C1CCN(CC1)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)14-6-9-25(10-7-14)19-16(11-15(12-22)17(23)27)20(28)26-8-4-5-13(2)18(26)24-19/h4-5,8,11,14H,3,6-7,9-10H2,1-2H3,(H2,23,27)/b15-11+InChIKey
SOHRHCPQADYDSO-RVDMUPIBSA-NSynonyms
796879-46-4(E)ethyl1(3(3amino2cyano3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
796879464
CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C(C(=O)N)C#N
CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)N
ethyl1(3((1E)3amino2cyano3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
ETHYL1(3((E)3AMINO2CYANO3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
InChI=1SC21H23N5O4c133021(29)146925(10714)1916(1115(1222)17(23)27)20(28)2684513(2)18(26)2419h4581114H367910H212H3(H22327)b1511+
MFCD03669907
ZINC000002201129
ZINC2201129
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