Vitas-M small molecule compound
ethyl 1-{3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl}piperidine-4-carboxylate
Catalog ID
STK533387
SMILES CCOC(=O)C1CCN(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 C25H31N5O3 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O3/c1-2-33-25(32)17-12-14-30(15-13-17)23-22(28-20-10-6-7-11-21(20)29-23)19(16-26)24(31)27-18-8-4-3-5-9-18/h6-7,10-11,17-19H,2-5,8-9,12-15H2,1H3,(H,27,31)InChIKey
OOSGELHFLUTYGI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NC4CCCCC4
ethyl1(3(1cyano2(cyclohexylamino)2oxoethyl)quinoxalin2yl)piperidine4carboxylate
InChI=1SC25H31N5O3c123325(32)17121430(151317)2322(282010671121(20)2923)19(1626)24(31)27188435918h6710111719H25891215H21H3(H2731)
MFCD02988207
ZINC000009309982
ZINC000013799655
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