Vitas-M small molecule compound

8-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK744076
SMILES C=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 C18H17BrN4O4S MW 465.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrN4O4S/c1-4-5-23-14-15(21(2)18(25)22(3)16(14)24)20-17(23)28-8-10-6-12-13(7-11(10)19)27-9-26-12/h4,6-7H,1,5,8-9H2,2-3H3
InChIKey
WKYSUYCFIUAXMR-UHFFFAOYSA-N
Synonyms
903862-75-9
7allyl8(((6bromobenzo(d)(13)dioxol5yl)methyl)thio)13dimethyl1Hpurine26(3H7H)dione
8(((6bromo13benzodioxol5yl)methyl)sulfanyl)13dimethyl7(prop2en1yl)37dihydro1Hpurine26dione
8((6bromo13benzodioxol5yl)methylsulfanyl)13dimethyl7prop2enylpurine26dione
903862759
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC4=C(C=C3Br)OCO4)CC=C
InChI=1SC18H17BrN4O4Sc145231415(21(2)18(25)22(3)16(14)24)2017(23)2881061213(711(10)19)2792612h467H1589H223H3
MFCD08288954
ZINC000009410818
ZINC09410818
ZINC9410818

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Available files

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