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-3-carboxylate
Catalog ID
STK906265
SMILES CCOC(=O)C1CCCN(C1)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/c1-4-38-23-12-10-22(11-13-23)31-27(35)21(17-30)16-24-26(32-25-19(3)8-6-15-34(25)28(24)36)33-14-7-9-20(18-33)29(37)39-5-2/h6,8,10-13,15-16,20H,4-5,7,9,14,18H2,1-3H3,(H,31,35)/b21-16+InChIKey
HHZDLTCKSHTCGK-LTGZKZEYSA-NSynonyms
850719-29-8(E)ethyl1(3(2cyano3((4ethoxyphenyl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
850719298
CCOC(=O)C1CCCN(C1)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)N4CCCC(C4)C(=O)OCC)C#N
ethyl1(3((1E)2cyano3((4ethoxyphenyl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
ETHYL1(3((E)2CYANO3(4ETHOXYANILINO)3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
InChI=1SC29H31N5O5c143823121022(111323)3127(35)21(1730)162426(322519(3)861534(25)28(24)36)33147920(1833)29(37)3952h681013151620H45791418H213H3(H3135)b2116+
MFCD03670515
ZINC000002390522
ZINC000009290586
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