Vitas-M small molecule compound

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

Catalog ID
STK617519
SMILES O=C(C1CCCN(C1)c1nc(Cl)nc2c1[nH]cn2)N1CCN(CC1)c1ccccc1

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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 C21H24ClN7O MW 425.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClN7O/c22-21-25-18-17(23-14-24-18)19(26-21)29-8-4-5-15(13-29)20(30)28-11-9-27(10-12-28)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,23,24,25,26)
InChIKey
JTNWOZQADZMADN-UHFFFAOYSA-N
Synonyms
929965-75-3
(1(2chloro7Hpurin6yl)piperidin3yl)(4phenylpiperazin1yl)methanone
(1(2chloro9Hpurin6yl)piperidin3yl)(4phenylpiperazin1yl)methanone
929965753
C1CC(CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)N4CCN(CC4)C5=CC=CC=C5
InChI=1SC21H24ClN7Oc2221251817(23142418)19(2621)2984515(1329)20(30)2811927(101228)166213716h13671415H45813H2(H23242526)
MFCD09797454
O=C(C1CCCN(C1)c1nc(Cl)nc2c1(nH)cn2)N1CCN(CC1)c1ccccc1
O=C(C1CCCN(C1)c1nc(Cl)nc2c1nc(nH)2)N1CCN(CC1)c1ccccc1
ZINC000008992905
ZINC000008992906

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Available files

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