Vitas-M small molecule compound

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

Catalog ID
STK629505
SMILES COc1ccccc1N1CCN(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 C22H26ClN7O2 MW 455.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN7O2/c1-32-17-7-3-2-6-16(17)28-9-11-29(12-10-28)21(31)15-5-4-8-30(13-15)20-18-19(25-14-24-18)26-22(23)27-20/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,24,25,26,27)
InChIKey
GCXCYSKPYBXZTO-UHFFFAOYSA-N
Synonyms
929864-21-1
(1(2chloro7Hpurin6yl)piperidin3yl)(4(2methoxyphenyl)piperazin1yl)methanone
(1(2chloro9Hpurin6yl)piperidin3yl)(4(2methoxyphenyl)piperazin1yl)methanone
929864211
COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCCN(C3)C4=NC(=NC5=C4NC=N5)Cl
COc1ccccc1N1CCN(CC1)C(=O)C1CCCN(C1)c1nc(Cl)nc2c1(nH)cn2
COc1ccccc1N1CCN(CC1)C(=O)C1CCCN(C1)c1nc(Cl)nc2c1nc(nH)2
InChI=1SC22H26ClN7O2c13217732616(17)2891129(121028)21(31)1554830(1315)201819(25142418)2622(23)2720h23671415H45813H21H3(H24252627)
MFCD09790146
ZINC000013551311
ZINC000013551314

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Available files

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