Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-6-hydroxy-3-methyl-8-(propylsulfanyl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STL038347
SMILES CCCSc1nc2c(n1C/C=C/C)c(O)nc(=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 C13H18N4O2S MW 294.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N4O2S/c1-4-6-7-17-9-10(14-13(17)20-8-5-2)16(3)12(19)15-11(9)18/h4,6H,5,7-8H2,1-3H3,(H,15,18,19)/b6-4+InChIKey
YPZGACYZRGEABV-GQCTYLIASA-NSynonyms
305864-77-1305864771
7((2E)but2en1yl)6hydroxy3methyl8(propylsulfanyl)37dihydro2Hpurin2one
7((2E)BUT2ENYL)3METHYL8PROPYLTHIO137TRIHYDROPURINE26DIONE
7((E)BUT2ENYL)3METHYL8PROPYLSULFANYLPURINE26DIONE
7BUT2ENYL3METHYL8PROPYLSULFANYL37DIHYDROPURINE26DIONE
CCCSC1=NC2=C(N1CC=CC)C(=O)NC(=O)N2C
CCCSc1nc2c(n1CC=CC)c(O)nc(=O)n2C
InChI=1SC13H18N4O2Sc146717910(1413(17)20852)16(3)12(19)1511(9)18h46H578H213H3(H151819)b64+
MFCD03801200
ZINC000012647507
ZINC12647507
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