Vitas-M small molecule compound

7-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK744072
SMILES CSc1nc2c(n1Cc1cc3OCOc3cc1Br)c(=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 C16H15BrN4O4S MW 439.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN4O4S/c1-19-13-12(14(22)20(2)16(19)23)21(15(18-13)26-3)6-8-4-10-11(5-9(8)17)25-7-24-10/h4-5H,6-7H2,1-3H3
InChIKey
RZCYEUPGBMWDRH-UHFFFAOYSA-N
Synonyms
903196-67-8
7((6bromo13benzodioxol5yl)methyl)13dimethyl8(methylsulfanyl)37dihydro1Hpurine26dione
7((6bromo13benzodioxol5yl)methyl)13dimethyl8methylsulfanylpurine26dione
7((6bromobenzo(d)(13)dioxol5yl)methyl)13dimethyl8(methylthio)1Hpurine26(3H7H)dione
903196678
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC)CC3=CC4=C(C=C3Br)OCO4
InChI=1SC16H15BrN4O4Sc1191312(14(22)20(2)16(19)23)21(15(1813)263)6841011(59(8)17)2572410h45H67H213H3
MFCD08285312
ZINC000009130679
ZINC09130679
ZINC9130679

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Available files

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