Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-8-(dodecylsulfanyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK561816
SMILES CCCCCCCCCCCCSc1nc2c(n1C/C=C/C)c(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 C22H36N4O2S MW 420.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H36N4O2S/c1-4-6-8-9-10-11-12-13-14-15-17-29-22-23-19-18(26(22)16-7-5-2)20(27)24-21(28)25(19)3/h5,7H,4,6,8-17H2,1-3H3,(H,24,27,28)/b7-5+InChIKey
PFIPSMPOLXJKNY-FNORWQNLSA-NSynonyms
296244-44-5296244445
7((2E)but2en1yl)8(dodecylsulfanyl)6hydroxy3methyl37dihydro2Hpurin2one
CCCCCCCCCCCCSC1=NC2=C(N1CC=CC)C(=O)NC(=O)N2C
CCCCCCCCCCCCSc1nc2c(n1CC=CC)c(O)nc(=O)n2C
InChI=1SC22H36N4O2Sc14689101112131415172922231918(26(22)16752)20(27)2421(28)25(19)3h57H46817H213H3(H242728)b75+
MFCD03815939
ZINC000096019834
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