Vitas-M small molecule compound
7-[(2Z)-3-chlorobut-2-en-1-yl]-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK070446
SMILES CCCCCCCCCCCCSc1nc2c(n1C/C=C(\Cl)/C)c(=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/c1-4-5-6-7-8-9-10-11-12-13-16-30-22-24-19-18(27(22)15-14-17(2)23)20(28)25-21(29)26(19)3/h14H,4-13,15-16H2,1-3H3,(H,25,28,29)/b17-14-InChIKey
CWMLYUXOJSLHLC-VKAVYKQESA-NSynonyms
331726-13-7(Z)7(3chlorobut2en1yl)8(dodecylthio)3methyl1Hpurine26(3H7H)dione
331726137
7((2Z)3CHLOROBUT2EN1YL)8(DODECYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7((Z)3CHLOROBUT2ENYL)8DODECYLSULFANYL3METHYLPURINE26DIONE
7(3CHLORO2BUTENYL)8(DODECYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7(3CHLOROBUT2ENYL)8DODECYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
CCCCCCCCCCCCSC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C
CCCCCCCCCCCCSc1nc2c(n1CC=C(Cl)C)c(=O)(nH)c(=O)n2C
InChI=1SC22H35ClN4O2Sc145678910111213163022241918(27(22)151417(2)23)20(28)2521(29)26(19)3h14H4131516H213H3(H252829)b1714
MFCD01079285
STK070446
ZINC000008398303
ZINC08398303
ZINC8398303
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