Vitas-M small molecule compound
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK527523
SMILES CCCCCSc1nc2c(n1CC(COc1ccc(cc1)Cl)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 C20H25ClN4O4S MW 452.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25ClN4O4S/c1-3-4-5-10-30-20-22-17-16(18(27)23-19(28)24(17)2)25(20)11-14(26)12-29-15-8-6-13(21)7-9-15/h6-9,14,26H,3-5,10-12H2,1-2H3,(H,23,27,28)InChIKey
SORXCWFMTULHHW-UHFFFAOYSA-NSynonyms
7(3(4chlorophenoxy)2hydroxypropyl)3methyl8(pentylsulfanyl)37dihydro1Hpurine26dione
7(3(4chlorophenoxy)2hydroxypropyl)3methyl8(pentylthio)1Hpurine26(3H7H)dione
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL8PENTYLSULFANYLPURINE26DIONE
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL8PENTYLTHIO137TRIHYDROPURINE26DIONE
CCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C
CCCCCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)(nH)c(=O)n2C
InChI=1SC20H25ClN4O4Sc1345103020221716(18(27)2319(28)24(17)2)25(20)1114(26)1229158613(21)7915h691426H351012H212H3(H232728)
MFCD00809900
ZINC000006149694
ZINC000006149698
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