Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-8-[(2-hydroxyethyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL298264
SMILES OCCSc1nc2c(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 C12H16N4O3S MW 296.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O3S/c1-3-4-5-16-8-9(13-12(16)20-7-6-17)15(2)11(19)14-10(8)18/h3-4,17H,5-7H2,1-2H3,(H,14,18,19)/b4-3+InChIKey
YSOZNMRIBGJDJH-ONEGZZNKSA-NSynonyms
304878-97-5(E)7(but2en1yl)8((2hydroxyethyl)thio)3methyl1Hpurine26(3H7H)dione
304878975
7((2E)but2en1yl)8((2hydroxyethyl)sulfanyl)3methyl37dihydro1Hpurine26dione
7((2E)BUT2ENYL)8(2HYDROXYETHYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
7((E)BUT2ENYL)8(2HYDROXYETHYLSULFANYL)3METHYLPURINE26DIONE
7BUT2ENYL8(2HYDROXYETHYLSULFANYL)3METHYL37DIHYDROPURINE26DIONE
CC=CCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C
InChI=1SC12H16N4O3Sc13451689(1312(16)207617)15(2)11(19)1410(8)18h3417H57H212H3(H141819)b43+
MFCD01553470
OCCSc1nc2c(n1CC=CC)c(=O)(nH)c(=O)n2C
ZINC000012343369
ZINC12343369
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