Vitas-M small molecule compound

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

Catalog ID
STK038042
SMILES CCCCCCSc1nc2c(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 C16H23ClN4O2S MW 370.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23ClN4O2S/c1-4-5-6-7-10-24-16-18-13-12(21(16)9-8-11(2)17)14(22)19-15(23)20(13)3/h8H,4-7,9-10H2,1-3H3,(H,19,22,23)/b11-8-
InChIKey
NZBFYLHTRSLOAT-FLIBITNWSA-N
Synonyms
331726-08-0
(Z)7(3chlorobut2en1yl)8(hexylthio)3methyl1Hpurine26(3H7H)dione
331726080
7((2Z)3CHLOROBUT2EN1YL)8(HEXYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7((2Z)3CHLOROBUT2ENYL)8HEXYLTHIO3METHYL137TRIHYDROPURINE26DIONE
7((Z)3CHLOROBUT2ENYL)8HEXYLSULFANYL3METHYLPURINE26DIONE
7(3CHLOROBUT2ENYL)8HEXYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
CCCCCCSC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C
CCCCCCSc1nc2c(n1CC=C(Cl)C)c(=O)(nH)c(=O)n2C
InChI=1SC16H23ClN4O2Sc14567102416181312(21(16)9811(2)17)14(22)1915(23)20(13)3h8H47910H213H3(H192223)b118
MFCD01079280
STK038042
ZINC000013575056
ZINC13575056

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Available files

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