Vitas-M small molecule compound
ethyl {[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STK025655
SMILES CCOC(=O)CSc1nc2c(n1CCc1ccccc1)c(=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 C18H20N4O4S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4S/c1-3-26-13(23)11-27-18-19-15-14(16(24)20-17(25)21(15)2)22(18)10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,20,24,25)InChIKey
AXWOTAYWRNTUQV-UHFFFAOYSA-NSynonyms
108280-80-4108280804
CCOC(=O)CSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C
CCOC(=O)CSc1nc2c(n1CCc1ccccc1)c(=O)(nH)c(=O)n2C
ethyl((3methyl26dioxo7(2phenylethyl)2367tetrahydro1Hpurin8yl)sulfanyl)acetate
ethyl2((3methyl26dioxo7phenethyl2367tetrahydro1Hpurin8yl)thio)acetate
ETHYL2(3METHYL26DIOXO7(2PHENYLETHYL)137TRIHYDROPURIN8YLTHIO)ACETATE
ethyl2(3methyl26dioxo7(2phenylethyl)purin8yl)sulfanylacetate
ETHYL2(3METHYL26DIOXO7PHENETHYLPURIN8YL)SULFANYLACETATE
InChI=1SC18H20N4O4Sc132613(23)112718191514(16(24)2017(25)21(15)2)22(18)109127546812h48H3911H212H3(H202425)
MFCD00229953
STK025655
ZINC000000821016
ZINC00821016
ZINC821016
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