Vitas-M small molecule compound
8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK700211
SMILES CCCCCCCCCCCCn1c(SC/C=C(\Cl)/C)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 C22H35ClN4O2S MW 455.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H35ClN4O2S/c1-4-5-6-7-8-9-10-11-12-13-15-27-18-19(26(3)21(29)25-20(18)28)24-22(27)30-16-14-17(2)23/h14H,4-13,15-16H2,1-3H3,(H,25,28,29)/b17-14-InChIKey
QGKLMXRZIPVKNT-VKAVYKQESA-NSynonyms
329703-27-7(Z)8((3chlorobut2en1yl)thio)7dodecyl3methyl1Hpurine26(3H7H)dione
329703277
8(((2Z)3chlorobut2en1yl)sulfanyl)7dodecyl3methyl37dihydro1Hpurine26dione
8((Z)3CHLOROBUT2ENYL)SULFANYL7DODECYL3METHYLPURINE26DIONE
CCCCCCCCCCCCn1c(SCC=C(Cl)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCCCCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C
InChI=1SC22H35ClN4O2Sc14567891011121315271819(26(3)21(29)2520(18)28)2422(27)30161417(2)23h14H4131516H213H3(H252829)b1714
MFCD01556668
ZINC000100683144
ZINC100683144
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