Vitas-M small molecule compound
ethyl {[3-methyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STK839907
SMILES CCOC(=O)CSc1nc2c(n1CCC(C)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 C15H22N4O4S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H22N4O4S/c1-5-23-10(20)8-24-15-16-12-11(19(15)7-6-9(2)3)13(21)17-14(22)18(12)4/h9H,5-8H2,1-4H3,(H,17,21,22)InChIKey
TTWLUUBRDIKFSY-UHFFFAOYSA-NSynonyms
313530-84-6313530846
CCOC(=O)CSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C
CCOC(=O)CSc1nc2c(n1CCC(C)C)c(=O)(nH)c(=O)n2C
ethyl((3methyl7(3methylbutyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
ethyl2((7isopentyl3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
ETHYL2(3METHYL7(3METHYLBUTYL)26DIOXO137TRIHYDROPURIN8YLTHIO)ACETATE
ethyl2(3methyl7(3methylbutyl)26dioxopurin8yl)sulfanylacetate
InChI=1SC15H22N4O4Sc152310(20)82415161211(19(15)769(2)3)13(21)1714(22)18(12)4h9H58H214H3(H172122)
MFCD00653128
ZINC000000894617
ZINC00894617
ZINC894617
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