Vitas-M small molecule compound
4-{[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]methyl}benzoic acid
Catalog ID
STL336592
SMILES OC(=O)c1ccc(cc1)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 C16H16N4O4S MW 360.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O4S/c1-18-11-12(19(2)16(24)20(3)13(11)21)17-15(18)25-8-9-4-6-10(7-5-9)14(22)23/h4-7H,8H2,1-3H3,(H,22,23)InChIKey
QZCVZGJVAUXYRK-UHFFFAOYSA-NSynonyms
671771-27-04(((137trimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)methyl)benzoicacid
4(((137trimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)methyl)benzoicacid
4((137TRIMETHYL26DIOXOPURIN8YL)SULFANYLMETHYL)BENZOICACID
671771270
CN1C2=C(N=C1SCC3=CC=C(C=C3)C(=O)O)N(C(=O)N(C2=O)C)C
InChI=1SC16H16N4O4Sc1181112(19(2)16(24)20(3)13(11)21)1715(18)25894610(759)14(22)23h47H8H213H3(H2223)
MFCD03196876
ZINC000001299068
ZINC1299068
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