Vitas-M small molecule compound
8-[(2-chloro-6-fluorobenzyl)sulfanyl]-6-hydroxy-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STL039676
SMILES C=CCn1c(SCc2c(F)cccc2Cl)nc2c1c(O)nc(=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 C16H14ClFN4O2S MW 380.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClFN4O2S/c1-3-7-22-12-13(21(2)15(24)20-14(12)23)19-16(22)25-8-9-10(17)5-4-6-11(9)18/h3-6H,1,7-8H2,2H3,(H,20,23,24)InChIKey
PDNDXIPCZKKQHD-UHFFFAOYSA-NSynonyms
8((2chloro6fluorobenzyl)sulfanyl)6hydroxy3methyl7(prop2en1yl)37dihydro2Hpurin2one
8((2CHLORO6FLUOROPHENYL)METHYLSULFANYL)3METHYL7PROP2ENYLPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC=C
InChI=1SC16H14ClFN4O2Sc137221213(21(2)15(24)2014(12)23)1916(22)258910(17)54611(9)18h36H178H22H3(H202324)
MFCD03808286
ZINC000001308198
ZINC01308198
ZINC1308198
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