Vitas-M small molecule compound
ethyl 1-(3-{(1E)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxylate
Catalog ID
STK706672
SMILES CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C(/C(=O)Nc1ccc(cc1)OCC)\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 C29H31N5O5 MW 529.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O5/c1-4-38-23-10-8-22(9-11-23)31-27(35)21(18-30)17-24-26(32-25-19(3)7-6-14-34(25)28(24)36)33-15-12-20(13-16-33)29(37)39-5-2/h6-11,14,17,20H,4-5,12-13,15-16H2,1-3H3,(H,31,35)/b21-17+InChIKey
DWYWWQNIGYUORO-HEHNFIMWSA-NSynonyms
799772-05-7(E)ethyl1(3(2cyano3((4ethoxyphenyl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
799772057
CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C(C(=O)Nc1ccc(cc1)OCC)C#N
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)C(=O)OCC)C#N
ETHYL1(3((1E)2CYANO2((4ETHOXYPHENYL)CARBAMOYL)ETH1EN1YL)9METHYL4OXO4HPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ethyl1(3((1E)2cyano3((4ethoxyphenyl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
ETHYL1(3((E)2CYANO3(4ETHOXYANILINO)3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
InChI=1SC29H31N5O5c14382310822(91123)3127(35)21(1830)172426(322519(3)761434(25)28(24)36)33151220(131633)29(37)3952h611141720H4512131516H213H3(H3135)b2117+
MFCD03672134
ZINC000002205235
ZINC2205235
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