Vitas-M small molecule compound
2-{[3-methyl-7-(2-methylprop-2-en-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
Catalog ID
STK840766
SMILES CC(=C)Cn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=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 C18H19N5O3S MW 385.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O3S/c1-11(2)9-23-14-15(22(3)17(26)21-16(14)25)20-18(23)27-10-13(24)19-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3,(H,19,24)(H,21,25,26)InChIKey
LKQOTIJYWBIZHW-UHFFFAOYSA-NSynonyms
332098-94-92((3methyl7(2methylallyl)26dioxo2367tetrahydro1Hpurin8yl)thio)Nphenylacetamide
2((3methyl7(2methylprop2en1yl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)Nphenylacetamide
2(3METHYL7(2METHYLPROP2ENYL)26DIOXO(137TRIHYDROPURIN8YLTHIO))NPHENYLACETAMIDE
2(3METHYL7(2METHYLPROP2ENYL)26DIOXOPURIN8YL)SULFANYLNPHENYLACETAMIDE
332098949
CC(=C)Cn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CC(=C)CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC18H19N5O3Sc111(2)9231415(22(3)17(26)2116(14)25)2018(23)271013(24)19127546812h48H1910H223H3(H1924)(H212526)
MFCD01877855
ZINC000000633029
ZINC00633029
ZINC633029
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