Vitas-M small molecule compound
ethyl 1-(3-{1-cyano-2-oxo-2-[(2-phenylethyl)amino]ethyl}quinoxalin-2-yl)piperidine-3-carboxylate
Catalog ID
STK534895
SMILES CCOC(=O)C1CCCN(C1)c1nc2ccccc2nc1C(C(=O)NCCc1ccccc1)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 C27H29N5O3 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3/c1-2-35-27(34)20-11-8-16-32(18-20)25-24(30-22-12-6-7-13-23(22)31-25)21(17-28)26(33)29-15-14-19-9-4-3-5-10-19/h3-7,9-10,12-13,20-21H,2,8,11,14-16,18H2,1H3,(H,29,33)InChIKey
PWKRKWCPNVUDQB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCCC4=CC=CC=C4
ethyl1(3(1cyano2oxo2((2phenylethyl)amino)ethyl)quinoxalin2yl)piperidine3carboxylate
ethyl1(3(1cyano2oxo2(2phenylethylamino)ethyl)quinoxalin2yl)piperidine3carboxylate
ETHYL1(3(1CYANO2OXO2(PHENETHYLAMINO)ETHYL)QUINOXALIN2YL)PIPERIDINE3CARBOXYLATE
InChI=1SC27H29N5O3c123527(34)201181632(1820)2524(302212671323(22)3125)21(1728)26(33)2915141994351019h3791012132021H2811141618H21H3(H2933)
MFCD02989986
ZINC000009348013
ZINC000102682022
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