Vitas-M small molecule compound
methyl 4-{[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]methyl}benzoate
Catalog ID
STL194119
SMILES COC(=O)c1ccc(cc1)CSc1[nH]c2c(n1)n(C)c(=O)n(c2=O)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/c1-19-12-11(13(21)20(2)16(19)23)17-15(18-12)25-8-9-4-6-10(7-5-9)14(22)24-3/h4-7H,8H2,1-3H3,(H,17,18)InChIKey
PGCPATDZHBZPEF-UHFFFAOYSA-NSynonyms
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)CSc1(nH)c2c(n1)n(C)c(=O)n(c2=O)C
InChI=1SC16H16N4O4Sc1191211(13(21)20(2)16(19)23)1715(1812)25894610(759)14(22)243h47H8H213H3(H1718)
methyl4(((13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)methyl)benzoate
methyl4((13dimethyl26dioxo7Hpurin8yl)sulfanylmethyl)benzoate
MFCD22391149
ZINC000101352187
ZINC101352187
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