Vitas-M small molecule compound
ethyl 3-({[1-(9H-purin-6-yl)piperidin-4-yl]carbonyl}amino)benzoate
Catalog ID
STK619156
SMILES CCOC(=O)c1cccc(c1)NC(=O)C1CCN(CC1)c1ncnc2c1nc[nH]2
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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 C20H22N6O3 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O3/c1-2-29-20(28)14-4-3-5-15(10-14)25-19(27)13-6-8-26(9-7-13)18-16-17(22-11-21-16)23-12-24-18/h3-5,10-13H,2,6-9H2,1H3,(H,25,27)(H,21,22,23,24)InChIKey
QAVOYYOKQNXOIA-UHFFFAOYSA-NSynonyms
921099-01-6921099016
CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4
CCOC(=O)c1cccc(c1)NC(=O)C1CCN(CC1)c1ncnc2c1(nH)cn2
CCOC(=O)c1cccc(c1)NC(=O)C1CCN(CC1)c1ncnc2c1nc(nH)2
ethyl3(((1(9Hpurin6yl)piperidin4yl)carbonyl)amino)benzoate
ethyl3((1(7Hpurin6yl)piperidine4carbonyl)amino)benzoate
ethyl3(1(7Hpurin6yl)piperidine4carboxamido)benzoate
InChI=1SC20H22N6O3c122920(28)1443515(1014)2519(27)136826(9713)181617(22112116)23122418h351013H269H21H3(H2527)(H21222324)
MFCD09797829
ZINC000009060166
ZINC09060166
ZINC9060166
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