Vitas-M small molecule compound
8-(azepan-1-yl)-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK088408
SMILES Cc1ccc(cc1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCCC1
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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 C20H25N5O2 MW 367.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O2/c1-14-7-9-15(10-8-14)13-25-16-17(23(2)20(27)22-18(16)26)21-19(25)24-11-5-3-4-6-12-24/h7-10H,3-6,11-13H2,1-2H3,(H,22,26,27)InChIKey
QILDYPHAOTZXQK-UHFFFAOYSA-NSynonyms
303969-85-9303969859
8(AZEPAN1YL)3METHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
8(AZEPAN1YL)3METHYL7(4METHYLBENZYL)1HPURINE26(3H7H)DIONE
8(AZEPAN1YL)3METHYL7(4METHYLBENZYL)37DIHYDRO1HPURINE26DIONE
8AZEPAN1YL3METHYL7(4METHYLBENZYL)37DIHYDROPURINE26DIONE
CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCCCCC4)N(C(=O)NC3=O)C
Cc1ccc(cc1)Cn1c(nc2c1c(=O)(nH)c(=O)n2C)N1CCCCCC1
InChI=1SC20H25N5O2c1147915(10814)13251617(23(2)20(27)2218(16)26)2119(25)241153461224h710H361113H212H3(H222627)
MFCD01555648
STK088408
ZINC000000845754
ZINC00845754
ZINC845754
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