Vitas-M small molecule compound

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-carboxamide

Catalog ID
STK906064
SMILES CCOc1ccc(cc1)NC(=O)/C(=C/c1c(nc2n(c1=O)cccc2C)N1CCC(CC1)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 C27H28N6O4 MW 500.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O4/c1-3-37-21-8-6-20(7-9-21)30-26(35)19(16-28)15-22-25(32-13-10-18(11-14-32)23(29)34)31-24-17(2)5-4-12-33(24)27(22)36/h4-9,12,15,18H,3,10-11,13-14H2,1-2H3,(H2,29,34)(H,30,35)/b19-15+
InChIKey
IPZJLEFELHIJAT-XDJHFCHBSA-N
Synonyms
877800-48-1
(E)1(3(2cyano3((4ethoxyphenyl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((1E)2cyano3((4ethoxyphenyl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((E)2CYANO3(4ETHOXYANILINO)3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXAMIDE
877800481
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)C(=O)N)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C(=O)N)C#N
InChI=1SC27H28N6O4c1337218620(7921)3026(35)19(1628)152225(32131018(111432)23(29)34)312417(2)541233(24)27(22)36h49121518H310111314H212H3(H22934)(H3035)b1915+
MFCD03670595
ZINC000009345952
ZINC9345952

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Available files

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