Vitas-M small molecule compound
ethyl 1-{3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl}piperidine-3-carboxylate
Catalog ID
STK533189
SMILES CCOC(=O)C1CCCN(C1)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)17-9-8-14-30(16-17)23-22(28-20-12-6-7-13-21(20)29-23)19(15-26)24(31)27-18-10-4-3-5-11-18/h6-7,12-13,17-19H,2-5,8-11,14,16H2,1H3,(H,27,31)InChIKey
VWJAVFXSMOCCHX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NC4CCCCC4
ethyl1(3(1cyano2(cyclohexylamino)2oxoethyl)quinoxalin2yl)piperidine3carboxylate
InChI=1SC25H31N5O3c123325(32)17981430(1617)2322(282012671321(20)2923)19(1526)24(31)2718104351118h6712131719H258111416H21H3(H2731)
MFCD02997371
ZINC000009438764
ZINC000102684295
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