Vitas-M small molecule compound

3-(9H-purin-6-ylsulfanyl)propane-1,2-diol

Catalog ID
STL287892
SMILES OC(CO)CSc1ncnc2c1nc[nH]2

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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 C8H10N4O2S MW 226.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H10N4O2S/c13-1-5(14)2-15-8-6-7(10-3-9-6)11-4-12-8/h3-5,13-14H,1-2H2,(H,9,10,11,12)
InChIKey
OPKFIKAYNXEJQA-UHFFFAOYSA-N
Synonyms
91086-60-1
13(1HPURIN6YLTHIO)
13(PURIN6YLTHIO)
3((9Hpurin6yl)thio)propane12diol
3(7HPURIN6YLSULFANYL)PROPANE12DIOL
3(9Hpurin6ylsulfanyl)propane12diol
3(9HPURIN6YLTHIO)12PROPANEDIOL
91086601
C1=NC2=C(N1)C(=NC=N2)SCC(CO)O
InChI=1SC8H10N4O2Sc1315(14)215867(10396)114128h351314H12H2(H9101112)
MFCD03267533
OC(CO)CSc1ncnc2c1nc(nH)2
ZINC000022913158
ZINC000022913161

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Available files

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