Vitas-M small molecule compound
8-(butylsulfanyl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK526891
SMILES CCCCSc1nc2c(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 C21H28N4O4S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4S/c1-4-6-11-30-21-22-18-17(19(27)23-20(28)24(18)3)25(21)12-15(26)13-29-16-9-7-14(5-2)8-10-16/h7-10,15,26H,4-6,11-13H2,1-3H3,(H,23,27,28)InChIKey
VBZRGCPLGQKOIH-UHFFFAOYSA-NSynonyms
331675-45-7331675457
8(butylsulfanyl)7(3(4ethylphenoxy)2hydroxypropyl)3methyl37dihydro1Hpurine26dione
8(butylthio)7(3(4ethylphenoxy)2hydroxypropyl)3methyl1Hpurine26(3H7H)dione
8BUTYLSULFANYL7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)3METHYLPURINE26DIONE
CCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)CC)O)C(=O)NC(=O)N2C
CCCCSc1nc2c(n1CC(COc1ccc(cc1)CC)O)c(=O)(nH)c(=O)n2C
InChI=1SC21H28N4O4Sc146113021221817(19(27)2320(28)24(18)3)25(21)1215(26)1329169714(52)81016h7101526H461113H213H3(H232728)
MFCD00809883
ZINC000006162113
ZINC000006162114
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