Vitas-M small molecule compound
({7-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetonitrile
Catalog ID
STK744009
SMILES N#CCSc1nc2c(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 C17H14BrN5O4S MW 464.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrN5O4S/c1-21-14-13(15(24)22(2)17(21)25)23(16(20-14)28-4-3-19)7-9-5-11-12(6-10(9)18)27-8-26-11/h5-6H,4,7-8H2,1-2H3InChIKey
GKTCHSJWHZMKGS-UHFFFAOYSA-NSynonyms
903196-27-0((7((6bromo13benzodioxol5yl)methyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetonitrile
2((7((6bromobenzo(d)(13)dioxol5yl)methyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetonitrile
2(7((6bromo13benzodioxol5yl)methyl)13dimethyl26dioxopurin8yl)sulfanylacetonitrile
903196270
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC#N)CC3=CC4=C(C=C3Br)OCO4
InChI=1SC17H14BrN5O4Sc1211413(15(24)22(2)17(21)25)23(16(2014)284319)7951112(610(9)18)2782611h56H478H212H3
MFCD08287409
ZINC000009409720
ZINC09409720
ZINC9409720
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