Vitas-M small molecule compound
7-benzyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK834462
SMILES O=c1[nH]c(=O)n(c2c1n(Cc1ccccc1)c(n2)S)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 C13H12N4O2S MW 288.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O2S/c1-16-10-9(11(18)15-12(16)19)17(13(20)14-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,20)(H,15,18,19)InChIKey
PVYIYJBOOYMALO-UHFFFAOYSA-NSynonyms
126118-64-7126118647
3METHYL7BENZYL8SULFANYL137TRIHYDROPURINE26DIONE
7benzyl3methyl8sulfanyl37dihydro1Hpurine26dione
7BENZYL3METHYL8SULFANYLIDENE9HPURINE26DIONE
7benzyl8mercapto3methyl1Hpurine26(3H7H)dione
7BENZYL8MERCAPTO3METHYL37DIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC3=CC=CC=C3
InChI=1SC13H12N4O2Sc116109(11(18)1512(16)19)17(13(20)1410)78532468h26H7H21H3(H1420)(H151819)
MFCD00653069
O=c1(nH)c(=O)n(c2c1n(Cc1ccccc1)c(n2)S)C
ZINC000100504606
ZINC100504606
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