Vitas-M small molecule compound
ethyl 1-(3-{(1E)-2-cyano-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxylate
Catalog ID
STK906264
SMILES CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C(/C(=O)NCCc1ccccc1)\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 C29H31N5O4 MW 513.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O4/c1-3-38-29(37)22-12-16-33(17-13-22)26-24(28(36)34-15-7-8-20(2)25(34)32-26)18-23(19-30)27(35)31-14-11-21-9-5-4-6-10-21/h4-10,15,18,22H,3,11-14,16-17H2,1-2H3,(H,31,35)/b23-18+InChIKey
XRERJSZMAZRSGY-PTGBLXJZSA-NSynonyms
862490-00-4(E)ethyl1(3(2cyano3oxo3(phenethylamino)prop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
862490004
CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C(C(=O)NCCc1ccccc1)C#N
CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)NCCC4=CC=CC=C4
ethyl1(3((1E)2cyano3oxo3((2phenylethyl)amino)prop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
ethyl1(3((E)2cyano3oxo3(2phenylethylamino)prop1enyl)9methyl4oxopyrido(12a)pyrimidin2yl)piperidine4carboxylate
ETHYL1(3((E)2CYANO3OXO3(PHENETHYLAMINO)PROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
InChI=1SC29H31N5O4c133829(37)22121633(171322)2624(28(36)34157820(2)25(34)3226)1823(1930)27(35)3114112195461021h410151822H311141617H212H3(H3135)b2318+
MFCD03672233
ZINC000013811084
ZINC13811084
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