Vitas-M small molecule compound
1,3,7-trimethyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK762829
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C
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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 C16H15N5O5S MW 389.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O5S/c1-18-12-13(19(2)16(24)20(3)14(12)23)17-15(18)27-8-11(22)9-4-6-10(7-5-9)21(25)26/h4-7H,8H2,1-3H3InChIKey
MZKIFZZUTISZMW-UHFFFAOYSA-NSynonyms
137trimethyl8((2(4nitrophenyl)2oxoethyl)sulfanyl)37dihydro1Hpurine26dione
137TRIMETHYL8(2(4NITROPHENYL)2OXOETHYL)SULFANYLPURINE26DIONE
CN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)(N+)(=O)(O))N(C(=O)N(C2=O)C)C
InChI=1SC16H15N5O5Sc1181213(19(2)16(24)20(3)14(12)23)1715(18)27811(22)94610(759)21(25)26h47H8H213H3
MFCD02039686
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C
ZINC000001066372
ZINC01066372
ZINC1066372
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