Vitas-M small molecule compound
[4-(4-methoxyphenyl)piperazin-1-yl][1-(9H-purin-6-yl)piperidin-4-yl]methanone
Catalog ID
STK625983
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2c1nc[nH]2
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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 C22H27N7O2 MW 421.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N7O2/c1-31-18-4-2-17(3-5-18)27-10-12-29(13-11-27)22(30)16-6-8-28(9-7-16)21-19-20(24-14-23-19)25-15-26-21/h2-5,14-16H,6-13H2,1H3,(H,23,24,25,26)InChIKey
ROUSJWMHKAGLFE-UHFFFAOYSA-NSynonyms
920472-99-7(1(7Hpurin6yl)piperidin4yl)(4(4methoxyphenyl)piperazin1yl)methanone
(4(4methoxyphenyl)piperazin1yl)(1(7Hpurin6yl)piperidin4yl)methanone
(4(4methoxyphenyl)piperazin1yl)(1(9Hpurin6yl)piperidin4yl)methanone
920472997
COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=NC5=C4NC=N5
COc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2c1(nH)cn2
COc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2c1nc(nH)2
InChI=1SC22H27N7O2c131184217(3518)27101229(131127)22(30)166828(9716)211920(24142319)25152621h251416H613H21H3(H23242526)
MFCD09791889
ZINC000009059975
ZINC09059975
ZINC9059975
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