Vitas-M small molecule compound
ethyl 1-[3-(2,2-dicyanoethenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate
Catalog ID
STK605972
SMILES CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1C=C(C#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 C21H21N5O3 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3/c1-3-29-21(28)16-7-5-8-25(13-16)19-17(10-15(11-22)12-23)20(27)26-9-4-6-14(2)18(26)24-19/h4,6,9-10,16H,3,5,7-8,13H2,1-2H3InChIKey
JPYCYKNBLMKYCX-UHFFFAOYSA-NSynonyms
796877-69-5796877695
CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C#N
ETHYL(3R)1(3(22DICYANOETHENYL)9METHYL4OXO4HPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
ETHYL(3S)1(3(22DICYANOETHENYL)9METHYL4OXO4HPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
ethyl1(3(22dicyanoethenyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
ETHYL1(3(22DICYANOETHENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
ethyl1(3(22dicyanovinyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
InChI=1SC21H21N5O3c132921(28)1675825(1316)1917(1015(1122)1223)20(27)2694614(2)18(26)2419h4691016H357813H212H3
MFCD03669305
ZINC000002200027
ZINC000002200028
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