Vitas-M small molecule compound
8-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK743979
SMILES CCn1c(SCc2cc3OCOc3cc2Br)nc2c1c(=O)n(c(=O)n2C)C
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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 C17H17BrN4O4S MW 453.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17BrN4O4S/c1-4-22-13-14(20(2)17(24)21(3)15(13)23)19-16(22)27-7-9-5-11-12(6-10(9)18)26-8-25-11/h5-6H,4,7-8H2,1-3H3InChIKey
MDMMBEXVYCJFMR-UHFFFAOYSA-NSynonyms
728032-28-8728032288
8(((6bromo13benzodioxol5yl)methyl)sulfanyl)7ethyl13dimethyl37dihydro1Hpurine26dione
8(((6bromobenzo(d)(13)dioxol5yl)methyl)thio)7ethyl13dimethyl1Hpurine26(3H7H)dione
8((6BROMO13BENZODIOXOL5YL)METHYLSULFANYL)7ETHYL13DIMETHYLPURINE26DIONE
CCN1C2=C(N=C1SCC3=CC4=C(C=C3Br)OCO4)N(C(=O)N(C2=O)C)C
InChI=1SC17H17BrN4O4Sc14221314(20(2)17(24)21(3)15(13)23)1916(22)277951112(610(9)18)2682511h56H478H213H3
MFCD06017030
ZINC000009409509
ZINC09409509
ZINC9409509
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