Vitas-M small molecule compound

ethyl 4-{3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl}piperazine-1-carboxylate

Catalog ID
STK533052
SMILES CCOC(=O)N1CCN(CC1)c1nc2ccccc2nc1C(C(=O)NC1CCCCC1)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 C24H30N6O3 MW 450.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N6O3/c1-2-33-24(32)30-14-12-29(13-15-30)22-21(27-19-10-6-7-11-20(19)28-22)18(16-25)23(31)26-17-8-4-3-5-9-17/h6-7,10-11,17-18H,2-5,8-9,12-15H2,1H3,(H,26,31)
InChIKey
ROIOLVKKUCACKH-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NC4CCCCC4
ethyl4(3(1cyano2(cyclohexylamino)2oxoethyl)quinoxalin2yl)piperazine1carboxylate
ETHYL4(3(CYANO(CYCLOHEXYLCARBAMOYL)METHYL)QUINOXALIN2YL)PIPERAZINE1CARBOXYLATE
InChI=1SC24H30N6O3c123324(32)30141229(131530)2221(271910671120(19)2822)18(1625)23(31)26178435917h6710111718H25891215H21H3(H2631)
MFCD02995990
ZINC000009435996
ZINC000013810090

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Available files

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