Vitas-M small molecule compound

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

Catalog ID
STK700782
SMILES CCCCCCSc1nc2c(n1C/C=C/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 C16H24N4O2S MW 336.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H24N4O2S/c1-4-6-8-9-11-23-16-17-13-12(20(16)10-7-5-2)14(21)18-15(22)19(13)3/h5,7H,4,6,8-11H2,1-3H3,(H,18,21,22)/b7-5+
InChIKey
KCUBLKCCQHDDFF-FNORWQNLSA-N
Synonyms
327100-47-0
(E)7(but2en1yl)8(hexylthio)3methyl1Hpurine26(3H7H)dione
327100470
7((2E)but2en1yl)8(hexylsulfanyl)3methyl37dihydro1Hpurine26dione
7((2E)BUT2ENYL)8HEXYLTHIO3METHYL137TRIHYDROPURINE26DIONE
7((E)BUT2ENYL)8HEXYLSULFANYL3METHYLPURINE26DIONE
CCCCCCSC1=NC2=C(N1CC=CC)C(=O)NC(=O)N2C
CCCCCCSc1nc2c(n1CC=CC)c(=O)(nH)c(=O)n2C
InChI=1SC16H24N4O2Sc14689112316171312(20(16)10752)14(21)1815(22)19(13)3h57H46811H213H3(H182122)b75+
MFCD01554791
ZINC000012647493
ZINC12647493

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Available files

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