Vitas-M small molecule compound
ethyl 4-[3-(1-cyano-2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)quinoxalin-2-yl]piperazine-1-carboxylate
Catalog ID
STL226044
SMILES CCOC(=O)N1CCN(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 C27H30N6O4 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N6O4/c1-3-37-27(35)33-16-14-32(15-17-33)25-24(30-22-6-4-5-7-23(22)31-25)21(18-28)26(34)29-13-12-19-8-10-20(36-2)11-9-19/h4-11,21H,3,12-17H2,1-2H3,(H,29,34)InChIKey
WSWCSSOKNSFYMI-UHFFFAOYSA-NSynonyms
378209-90-6378209906
CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCCC4=CC=C(C=C4)OC
ethyl4(3(1cyano2((2(4methoxyphenyl)ethyl)amino)2oxoethyl)quinoxalin2yl)piperazine1carboxylate
ethyl4(3(1cyano2((4methoxyphenethyl)amino)2oxoethyl)quinoxalin2yl)piperazine1carboxylate
ETHYL4(3(1CYANO2(2(4METHOXYPHENYL)ETHYLAMINO)2OXOETHYL)QUINOXALIN2YL)PIPERAZINE1CARBOXYLATE
InChI=1SC27H30N6O4c133727(35)33161432(151733)2524(3022645723(22)3125)21(1828)26(34)2913121981020(362)11919h41121H31217H212H3(H2934)
MFCD02985087
ZINC000009191744
ZINC000009191745
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