Vitas-M small molecule compound

[1-(2-chloro-7H-purin-6-yl)piperidin-3-yl](4-methylpiperazin-1-yl)methanone

Catalog ID
STK623234
SMILES CN1CCN(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 C16H22ClN7O MW 363.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22ClN7O/c1-22-5-7-23(8-6-22)15(25)11-3-2-4-24(9-11)14-12-13(19-10-18-12)20-16(17)21-14/h10-11H,2-9H2,1H3,(H,18,19,20,21)
InChIKey
FFGQBFUUPDRQIX-UHFFFAOYSA-N
Synonyms
929966-32-5
(1(2chloro7Hpurin6yl)piperidin3yl)(4methylpiperazin1yl)methanone
(1(2chloro9Hpurin6yl)piperidin3yl)(4methylpiperazin1yl)methanone
CN1CCN(CC1)C(=O)C1CCCN(C1)c1nc(Cl)nc2c1(nH)cn2
CN1CCN(CC1)C(=O)C1CCCN(C1)c1nc(Cl)nc2c1nc(nH)2
CN1CCN(CC1)C(=O)C2CCCN(C2)C3=NC(=NC4=C3NC=N4)Cl
Registry IDs
MFCD09797686
ZINC000020650568
ZINC000020650571

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Available files

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