Vitas-M small molecule compound

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

Catalog ID
STK906061
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C(=O)N)/C(=O)NC1CCCCC1

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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 C25H30N6O3 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N6O3/c1-16-6-5-11-31-22(16)29-23(30-12-9-17(10-13-30)21(27)32)20(25(31)34)14-18(15-26)24(33)28-19-7-3-2-4-8-19/h5-6,11,14,17,19H,2-4,7-10,12-13H2,1H3,(H2,27,32)(H,28,33)/b18-14+
InChIKey
ZYXOVAIDRLUXLV-NBVRZTHBSA-N
Synonyms
862488-73-1
(E)1(3(2cyano3(cyclohexylamino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((1E)2cyano3(cyclohexylamino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((E)2CYANO3(CYCLOHEXYLAMINO)3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXAMIDE
862488731
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NC3CCCCC3)N4CCC(CC4)C(=O)N
InChI=1SC25H30N6O3c11665113122(16)2923(3012917(101330)21(27)32)20(25(31)34)1418(1526)24(33)28197324819h5611141719H247101213H21H3(H22732)(H2833)b1814+
MFCD03668671
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C(=O)N)C(=O)NC1CCCCC1
ZINC000009344624
ZINC9344624

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.