Vitas-M small molecule compound

1-(2-chloro-7H-purin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide

Catalog ID
STK628985
SMILES O=C(C1CCCN(C1)c1nc(Cl)nc2c1[nH]cn2)NCCc1c[nH]c2c1cccc2

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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 C21H22ClN7O MW 423.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN7O/c22-21-27-18-17(25-12-26-18)19(28-21)29-9-3-4-14(11-29)20(30)23-8-7-13-10-24-16-6-2-1-5-15(13)16/h1-2,5-6,10,12,14,24H,3-4,7-9,11H2,(H,23,30)(H,25,26,27,28)
InChIKey
ZJAITGHWWSHAQW-UHFFFAOYSA-N
Synonyms
929832-60-0
1(2chloro7Hpurin6yl)N(2(1Hindol3yl)ethyl)piperidine3carboxamide
929832600
C1CC(CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NCCC4=CNC5=CC=CC=C54
InChI=1SC21H22ClN7Oc2221271817(25122618)19(2821)2993414(1129)20(30)238713102416621515(13)16h125610121424H347911H2(H2330)(H25262728)
MFCD09792110
N(2(1Hindol3yl)ethyl)1(2chloro9Hpurin6yl)piperidine3carboxamide
O=C(C1CCCN(C1)c1nc(Cl)nc2c1(nH)cn2)NCCc1c(nH)c2c1cccc2
O=C(C1CCCN(C1)c1nc(Cl)nc2c1nc(nH)2)NCCc1c(nH)c2c1cccc2
ZINC000013570084
ZINC000013570085

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Available files

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