Vitas-M small molecule compound
7-benzyl-8-chloro-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK526221
SMILES O=c1[nH]c(=O)n(c2c1n(Cc1ccccc1)c(n2)Cl)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 C13H11ClN4O2 MW 290.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11ClN4O2/c1-17-10-9(11(19)16-13(17)20)18(12(14)15-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,19,20)InChIKey
LCOWIMHMOWUCCU-UHFFFAOYSA-NSynonyms
93703-28-77BENZYL8CHLORO3METHYL1HPURINE26(3H7H)DIONE
7benzyl8chloro3methyl37dihydro1Hpurine26dione
7BENZYL8CHLORO3METHYL37DIHYDROPURINE26DIONE
7BENZYL8CHLORO3METHYLPURINE26DIONE
93703287
CN1C2=C(C(=O)NC1=O)N(C(=N2)Cl)CC3=CC=CC=C3
InChI=1SC13H11ClN4O2c117109(11(19)1613(17)20)18(12(14)1510)78532468h26H7H21H3(H161920)
MFCD00428275
O=c1(nH)c(=O)n(c2c1n(Cc1ccccc1)c(n2)Cl)C
ZINC000000495197
ZINC00495197
ZINC495197
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