Vitas-M small molecule compound
7-(2-chlorobenzyl)-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK834189
SMILES Clc1ccccc1Cn1c(S)nc2c1c(=O)[nH]c(=O)n2C
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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 C13H11ClN4O2S MW 322.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11ClN4O2S/c1-17-10-9(11(19)16-12(17)20)18(13(21)15-10)6-7-4-2-3-5-8(7)14/h2-5H,6H2,1H3,(H,15,21)(H,16,19,20)InChIKey
GKNLPLAIWNPUNY-UHFFFAOYSA-NSynonyms
331841-35-1331841351
7((2CHLOROPHENYL)METHYL)3METHYL8SULFANYLIDENE9HPURINE26DIONE
7(2chlorobenzyl)3methyl8sulfanyl37dihydro1Hpurine26dione
7(2chlorobenzyl)8mercapto3methyl1Hpurine26(3H7H)dione
Clc1ccccc1Cn1c(S)nc2c1c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC3=CC=CC=C3Cl
InChI=1SC13H11ClN4O2Sc117109(11(19)1612(17)20)18(13(21)1510)6742358(7)14h25H6H21H3(H1521)(H161920)
MFCD01051699
ZINC000100685154
ZINC100685154
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