Vitas-M small molecule compound
3-benzyl-7-methyl-6-thioxo-1,3,6,7-tetrahydro-2H-purin-2-one
Catalog ID
STK765613
SMILES Cn1cnc2c1c(=S)[nH]c(=O)n2Cc1ccccc1
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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 C13H12N4OS MW 272.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4OS/c1-16-8-14-11-10(16)12(19)15-13(18)17(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19)InChIKey
KERAOQDCCCRYKN-UHFFFAOYSA-NSynonyms
3BENZYL7METHYL6SULFANYLIDENEPURIN2ONE
3benzyl7methyl6thioxo1367tetrahydro2Hpurin2one
7METHYL3BENZYL6THIOXO137TRIHYDROPURIN2ONE
CN1C=NC2=C1C(=S)NC(=O)N2CC3=CC=CC=C3
Cn1cnc2c1c(=S)(nH)c(=O)n2Cc1ccccc1
InChI=1SC13H12N4OSc1168141110(16)12(19)1513(18)17(11)79532469h268H7H21H3(H151819)
MFCD02933847
ZINC000000139738
ZINC139738
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