Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK529084
SMILES C/C=C/CSc1nc2c(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 C14H18N4O2S MW 306.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N4O2S/c1-4-6-8-18-10-11(15-14(18)21-9-7-5-2)17(3)13(20)16-12(10)19/h4-7H,8-9H2,1-3H3,(H,16,19,20)/b6-4+,7-5+InChIKey
LBGZSEVKUSMUFM-YDFGWWAZSA-NSynonyms
304880-78-2304880782
7((2E)but2en1yl)8((2E)but2en1ylsulfanyl)3methyl37dihydro1Hpurine26dione
7((2E)BUT2ENYL)8((2E)BUT2ENYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
7((E)but2en1yl)8((E)but2en1ylthio)3methyl1Hpurine26(3H7H)dione
7((E)BUT2ENYL)8((E)BUT2ENYL)SULFANYL3METHYLPURINE26DIONE
7BUT2ENYL8BUT2ENYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
CC=CCN1C2=C(N=C1SCC=CC)N(C(=O)NC2=O)C
CC=CCSc1nc2c(n1CC=CC)c(=O)(nH)c(=O)n2C
InChI=1SC14H18N4O2Sc1468181011(1514(18)219752)17(3)13(20)1612(10)19h47H89H213H3(H161920)b64+75+
MFCD01543210
ZINC000012647466
ZINC12647466
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