Vitas-M small molecule compound
ethyl 1-(3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-1-cyano-2-oxoethyl}quinoxalin-2-yl)piperidine-4-carboxylate
Catalog ID
STL226039
SMILES CCOC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C(=O)NCc1ccc2c(c1)OCO2)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 C27H27N5O5 MW 501.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O5/c1-2-35-27(34)18-9-11-32(12-10-18)25-24(30-20-5-3-4-6-21(20)31-25)19(14-28)26(33)29-15-17-7-8-22-23(13-17)37-16-36-22/h3-8,13,18-19H,2,9-12,15-16H2,1H3,(H,29,33)InChIKey
YZQSPURRJBJADS-UHFFFAOYSA-NSynonyms
378212-05-6378212056
CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCC4=CC5=C(C=C4)OCO5
ethyl1(3(2((13benzodioxol5ylmethyl)amino)1cyano2oxoethyl)quinoxalin2yl)piperidine4carboxylate
ethyl1(3(2((benzo(d)(13)dioxol5ylmethyl)amino)1cyano2oxoethyl)quinoxalin2yl)piperidine4carboxylate
ETHYL1(3(2(13BENZODIOXOL5YLMETHYLAMINO)1CYANO2OXOETHYL)QUINOXALIN2YL)PIPERIDINE4CARBOXYLATE
InChI=1SC27H27N5O5c123527(34)1891132(121018)2524(3020534621(20)3125)19(1428)26(33)291517782223(1317)37163622h38131819H29121516H21H3(H2933)
MFCD02985135
ZINC000011851742
ZINC000011851743
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