Vitas-M small molecule compound

ethyl 1-{[1-(2-chloro-7H-purin-6-yl)piperidin-3-yl]carbonyl}piperidine-4-carboxylate

Catalog ID
STK621808
SMILES CCOC(=O)C1CCN(CC1)C(=O)C1CCCN(C1)c1nc(Cl)nc2c1[nH]cn2

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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 C19H25ClN6O3 MW 420.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25ClN6O3/c1-2-29-18(28)12-5-8-25(9-6-12)17(27)13-4-3-7-26(10-13)16-14-15(22-11-21-14)23-19(20)24-16/h11-13H,2-10H2,1H3,(H,21,22,23,24)
InChIKey
BHOCBZQMXTWHLE-UHFFFAOYSA-N
Synonyms
929965-50-4
929965504
CCOC(=O)C1CCN(CC1)C(=O)C1CCCN(C1)c1nc(Cl)nc2c1(nH)cn2
CCOC(=O)C1CCN(CC1)C(=O)C1CCCN(C1)c1nc(Cl)nc2c1nc(nH)2
CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)C3=NC(=NC4=C3NC=N4)Cl
ethyl1((1(2chloro7Hpurin6yl)piperidin3yl)carbonyl)piperidine4carboxylate
ethyl1(1(2chloro7Hpurin6yl)piperidine3carbonyl)piperidine4carboxylate
ethyl1(1(2chloro9Hpurin6yl)piperidine3carbonyl)piperidine4carboxylate
InChI=1SC19H25ClN6O3c122918(28)125825(9612)17(27)1343726(1013)161415(22112114)2319(20)2416h1113H210H21H3(H21222324)
MFCD09795259
ZINC000008992795
ZINC000008992796

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.