Vitas-M small molecule compound
8-(azepan-1-yl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK840088
SMILES COc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCCC1)O
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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 C23H31N5O5 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N5O5/c1-25-20-19(21(30)26(2)23(25)31)28(22(24-20)27-12-6-4-5-7-13-27)14-16(29)15-33-18-10-8-17(32-3)9-11-18/h8-11,16,29H,4-7,12-15H2,1-3H3InChIKey
COQYIUCMMOAVPQ-UHFFFAOYSA-NSynonyms
333755-42-3333755423
8(AZEPAN1YL)7(2HYDROXY3(4METHOXYPHENOXY)PROPYL)13DIMETHYL1HPURINE26(3H7H)DIONE
8(azepan1yl)7(2hydroxy3(4methoxyphenoxy)propyl)13dimethyl37dihydro1Hpurine26dione
8(AZEPAN1YL)7(2HYDROXY3(4METHOXYPHENOXY)PROPYL)13DIMETHYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC(COC4=CC=C(C=C4)OC)O
InChI=1SC23H31N5O5c1252019(21(30)26(2)23(25)31)28(22(2420)271264571327)1416(29)15331810817(323)91118h8111629H471215H213H3
MFCD02579145
ZINC000000629963
ZINC000000629968
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