Vitas-M small molecule compound
ethyl {[3-methyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STK833689
SMILES CCOC(=O)CSc1nc2c(n1Cc1cccc(c1)C)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/c1-4-26-13(23)10-27-18-19-15-14(16(24)20-17(25)21(15)3)22(18)9-12-7-5-6-11(2)8-12/h5-8H,4,9-10H2,1-3H3,(H,20,24,25)InChIKey
SYESQKTWQZBHMJ-UHFFFAOYSA-NSynonyms
303973-54-8303973548
CCOC(=O)CSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C
CCOC(=O)CSc1nc2c(n1Cc1cccc(c1)C)c(=O)(nH)c(=O)n2C
ethyl((3methyl7(3methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
ethyl2((3methyl7(3methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
ETHYL2(3METHYL7((3METHYLPHENYL)METHYL)26DIOXO137TRIHYDROPURIN8YLTHIO)ACETATE
ETHYL2(3METHYL7((3METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLACETATE
InChI=1SC18H20N4O4Sc142613(23)102718191514(16(24)2017(25)21(15)3)22(18)91275611(2)812h58H4910H213H3(H202425)
MFCD01186411
ZINC000000839515
ZINC00839515
ZINC839515
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