Vitas-M small molecule compound
7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-(hexylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK528867
SMILES CCCCCCSc1nc2c(n1CC(COc1ccc(cc1)CC)O)c(=O)[nH]c(=O)n2C
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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 C23H32N4O4S MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N4O4S/c1-4-6-7-8-13-32-23-24-20-19(21(29)25-22(30)26(20)3)27(23)14-17(28)15-31-18-11-9-16(5-2)10-12-18/h9-12,17,28H,4-8,13-15H2,1-3H3,(H,25,29,30)InChIKey
LCPQXINBRDPWGC-UHFFFAOYSA-NSynonyms
316360-33-5316360335
7(3(4ethylphenoxy)2hydroxypropyl)8(hexylsulfanyl)3methyl37dihydro1Hpurine26dione
7(3(4ethylphenoxy)2hydroxypropyl)8(hexylthio)3methyl1Hpurine26(3H7H)dione
7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)8HEXYLSULFANYL3METHYLPURINE26DIONE
7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)8HEXYLTHIO3METHYL137TRIHYDROPURINE26DIONE
CCCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)CC)O)C(=O)NC(=O)N2C
CCCCCCSc1nc2c(n1CC(COc1ccc(cc1)CC)O)c(=O)(nH)c(=O)n2C
InChI=1SC23H32N4O4Sc14678133223242019(21(29)2522(30)26(20)3)27(23)1417(28)15311811916(52)101218h9121728H481315H213H3(H252930)
MFCD00809885
ZINC000006149652
ZINC000006149655
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