Vitas-M small molecule compound
7-dodecyl-8-[(4-fluorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK540933
SMILES CCCCCCCCCCCCn1c(SCc2ccc(cc2)F)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 C25H35FN4O2S MW 474.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35FN4O2S/c1-3-4-5-6-7-8-9-10-11-12-17-30-21-22(29(2)24(32)28-23(21)31)27-25(30)33-18-19-13-15-20(26)16-14-19/h13-16H,3-12,17-18H2,1-2H3,(H,28,31,32)InChIKey
GVKYBLBNPGSSPK-UHFFFAOYSA-NSynonyms
378205-40-4378205404
7dodecyl8((4fluorobenzyl)sulfanyl)3methyl37dihydro1Hpurine26dione
7dodecyl8((4fluorobenzyl)thio)3methyl1Hpurine26(3H7H)dione
7DODECYL8((4FLUOROPHENYL)METHYLSULFANYL)3METHYLPURINE26DIONE
7DODECYL8((4FLUOROPHENYL)METHYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
CCCCCCCCCCCCn1c(SCc2ccc(cc2)F)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)F)N(C(=O)NC2=O)C
InChI=1SC25H35FN4O2Sc1345678910111217302122(29(2)24(32)2823(21)31)2725(30)331819131520(26)161419h1316H3121718H212H3(H283132)
MFCD02984434
ZINC000100692830
ZINC100692830
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