Vitas-M small molecule compound

8-(dodecylsulfanyl)-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK540420
SMILES CCCCCCCCCCCCSc1nc2c(n1CC=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 C21H34N4O2S MW 406.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34N4O2S/c1-4-6-7-8-9-10-11-12-13-14-16-28-21-22-18-17(25(21)15-5-2)19(26)23-20(27)24(18)3/h5H,2,4,6-16H2,1,3H3,(H,23,26,27)
InChIKey
CJNPPXCFYXJPMH-UHFFFAOYSA-N
Synonyms
317844-70-5
317844705
7ALLYL8(DODECYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7allyl8(dodecylthio)3methyl1Hpurine26(3H7H)dione
7ALLYL8DODECYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
8(dodecylsulfanyl)3methyl7(prop2en1yl)37dihydro1Hpurine26dione
8DODECYLSULFANYL3METHYL7PROP2ENYLPURINE26DIONE
8DODECYLTHIO3METHYL7PROP2ENYL137TRIHYDROPURINE26DIONE
CCCCCCCCCCCCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C
CCCCCCCCCCCCSc1nc2c(n1CC=C)c(=O)(nH)c(=O)n2C
InChI=1SC21H34N4O2Sc1467891011121314162821221817(25(21)1552)19(26)2320(27)24(18)3h5H24616H213H3(H232627)
MFCD01080079
ZINC000008435282
ZINC08435282
ZINC8435282

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.