Vitas-M small molecule compound

7-[(2Z)-3-chlorobut-2-en-1-yl]-8-(heptylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK006240
SMILES CCCCCCCSc1nc2c(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 C17H25ClN4O2S MW 384.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25ClN4O2S/c1-4-5-6-7-8-11-25-17-19-14-13(22(17)10-9-12(2)18)15(23)20-16(24)21(14)3/h9H,4-8,10-11H2,1-3H3,(H,20,23,24)/b12-9-
InChIKey
ZRFRQUFYEAXWKT-XFXZXTDPSA-N
Synonyms
331726-09-1
(Z)7(3chlorobut2en1yl)8(heptylthio)3methyl1Hpurine26(3H7H)dione
331726091
7((2Z)3CHLOROBUT2EN1YL)8(HEPTYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7((2Z)3CHLOROBUT2EN1YL)8(HEPTYLSULFANYL)6HYDROXY3METHYL37DIHYDRO2HPURIN2ONE
7((2Z)3CHLOROBUT2ENYL)8HEPTYLTHIO3METHYL137TRIHYDROPURINE26DIONE
7((Z)3CHLOROBUT2ENYL)8HEPTYLSULFANYL3METHYLPURINE26DIONE
7(3CHLORO2BUTENYL)8(HEPTYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7(3CHLOROBUT2ENYL)8HEPTYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
CCCCCCCSC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C
CCCCCCCSc1nc2c(n1CC=C(Cl)C)c(=O)(nH)c(=O)n2C
InChI=1SC17H25ClN4O2Sc145678112517191413(22(17)10912(2)18)15(23)2016(24)21(14)3h9H481011H213H3(H202324)b129
MFCD01079281
STK006240
ZINC08398299
ZINC8398299

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Available files

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