Vitas-M small molecule compound
{[1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
Catalog ID
STK536099
SMILES CC(=C)Cn1c(SCC(=O)O)nc2c1c(=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 C13H16N4O4S MW 324.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O4S/c1-7(2)5-17-9-10(14-12(17)22-6-8(18)19)15(3)13(21)16(4)11(9)20/h1,5-6H2,2-4H3,(H,18,19)InChIKey
WQHXFJRQNADBJP-UHFFFAOYSA-NSynonyms
374616-18-9((13dimethyl7(2methylprop2en1yl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
2((13dimethyl7(2methylallyl)26dioxo2367tetrahydro1Hpurin8yl)thio)aceticacid
2(13DIMETHYL7(2METHYLPROP2ENYL)26DIOXO137TRIHYDROPURIN8YLTHIO)ACETICACID
2(13DIMETHYL7(2METHYLPROP2ENYL)26DIOXOPURIN8YL)SULFANYLACETICACID
374616189
CC(=C)CN1C2=C(N=C1SCC(=O)O)N(C(=O)N(C2=O)C)C
InChI=1SC13H16N4O4Sc17(2)517910(1412(17)2268(18)19)15(3)13(21)16(4)11(9)20h156H224H3(H1819)
MFCD01960202
ZINC000000380571
ZINC380571
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