Vitas-M small molecule compound

1,3,7-trimethyl-8-[(pyridin-2-ylmethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK762337
SMILES Cn1c(SCc2ccccn2)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 C14H15N5O2S MW 317.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N5O2S/c1-17-10-11(18(2)14(21)19(3)12(10)20)16-13(17)22-8-9-6-4-5-7-15-9/h4-7H,8H2,1-3H3
InChIKey
ZUKPSLOIJJNDAO-UHFFFAOYSA-N
Synonyms

137TRIMETHYL8((2PYRIDINYLMETHYL)THIO)37DIHYDRO1HPURINE26DIONE
137trimethyl8((pyridin2ylmethyl)sulfanyl)37dihydro1Hpurine26dione
137TRIMETHYL8(PYRIDIN2YLMETHYLSULFANYL)PURINE26DIONE
CN1C2=C(N=C1SCC3=CC=CC=N3)N(C(=O)N(C2=O)C)C
InChI=1SC14H15N5O2Sc1171011(18(2)14(21)19(3)12(10)20)1613(17)22896457159h47H8H213H3
MFCD01872789
ZINC000000084170
ZINC00084170
ZINC84170

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.