Vitas-M small molecule compound

1-(3-{(1E)-2-cyano-3-[(3-methoxypropyl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

Catalog ID
STK905938
SMILES COCCCNC(=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 C23H28N6O4 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N6O4/c1-15-5-3-9-29-20(15)27-21(28-10-6-16(7-11-28)19(25)30)18(23(29)32)13-17(14-24)22(31)26-8-4-12-33-2/h3,5,9,13,16H,4,6-8,10-12H2,1-2H3,(H2,25,30)(H,26,31)/b17-13+
InChIKey
JFIVGKLQMCGRHK-GHRIWEEISA-N
Synonyms
850236-69-0
(E)1(3(2cyano3((3methoxypropyl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((1E)2cyano3((3methoxypropyl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((E)2CYANO3(3METHOXYPROPYLAMINO)3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXAMIDE
850236690
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCCCOC)N3CCC(CC3)C(=O)N
COCCCNC(=O)C(=Cc1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C(=O)N)C#N
InChI=1SC23H28N6O4c1155392920(15)2721(2810616(71128)19(25)30)18(23(29)32)1317(1424)22(31)268412332h3591316H4681012H212H3(H22530)(H2631)b1713+
MFCD03672642
ZINC000002372638
ZINC2372638

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Available files

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