Vitas-M small molecule compound
ethyl 1-[3-(1-cyano-2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)quinoxalin-2-yl]piperidine-4-carboxylate
Catalog ID
STK608881
SMILES CCOC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C(=O)NCCc1ccc(cc1)OC)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 C28H31N5O4 MW 501.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O4/c1-3-37-28(35)20-13-16-33(17-14-20)26-25(31-23-6-4-5-7-24(23)32-26)22(18-29)27(34)30-15-12-19-8-10-21(36-2)11-9-19/h4-11,20,22H,3,12-17H2,1-2H3,(H,30,34)InChIKey
GXDAUPOYOXZUKP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCCC4=CC=C(C=C4)OC
ethyl1(3(1cyano2((2(4methoxyphenyl)ethyl)amino)2oxoethyl)quinoxalin2yl)piperidine4carboxylate
ethyl1(3(1cyano2((4methoxyphenethyl)amino)2oxoethyl)quinoxalin2yl)piperidine4carboxylate
ETHYL1(3(1CYANO2(2(4METHOXYPHENYL)ETHYLAMINO)2OXOETHYL)QUINOXALIN2YL)PIPERIDINE4CARBOXYLATE
InChI=1SC28H31N5O4c133728(35)20131633(171420)2625(3123645724(23)3226)22(1829)27(34)3015121981021(362)11919h4112022H31217H212H3(H3034)
MFCD02996820
ZINC000008766631
ZINC000008766634
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