Vitas-M small molecule compound
2-{[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile
Catalog ID
STL380079
SMILES N#Cc1ccccc1CSc1nc2c(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 C16H15N5O2S MW 341.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-11-7-5-4-6-10(11)8-17/h4-7H,9H2,1-3H3InChIKey
GPIWLDXLOGEKOQ-UHFFFAOYSA-NSynonyms
2(((137trimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)methyl)benzonitrile
2((137TRIMETHYL26DIOXO137TRIHYDROPURIN8YLTHIO)METHYL)BENZENECARBONITRILE
2((137TRIMETHYL26DIOXOPURIN8YL)SULFANYLMETHYL)BENZONITRILE
CN1C2=C(N=C1SCC3=CC=CC=C3C#N)N(C(=O)N(C2=O)C)C
InChI=1SC16H15N5O2Sc1191213(20(2)16(23)21(3)14(12)22)1815(19)24911754610(11)817h47H9H213H3
MFCD02734340
ZINC000000112205
ZINC00112205
ZINC112205
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