Vitas-M small molecule compound
methyl 2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoate
Catalog ID
STK838449
SMILES COC(=O)C(Sc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C)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 C18H20N4O4S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4S/c1-11(16(24)26-4)27-17-19-14-13(15(23)21(3)18(25)20(14)2)22(17)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3InChIKey
KTXROOBHDHCHDK-UHFFFAOYSA-NSynonyms
374615-26-6374615266
CC(C(=O)OC)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C
InChI=1SC18H20N4O4Sc111(16(24)264)2717191413(15(23)21(3)18(25)20(14)2)22(17)10128657912h5911H10H214H3
methyl2((7benzyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoate
methyl2((7benzyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoate
METHYL2(13DIMETHYL26DIOXO7BENZYL137TRIHYDROPURIN8YLTHIO)PROPANOATE
METHYL2(7BENZYL13DIMETHYL26DIOXOPURIN8YL)SULFANYLPROPANOATE
MFCD01960027
ZINC000000624713
ZINC000000624715
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