Vitas-M small molecule compound
ethyl 2-{[7-(2-amino-2-oxoethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}butanoate
Catalog ID
STK033015
SMILES CCOC(=O)C(Sc1nc2c(n1CC(=O)N)c(=O)[nH]c(=O)n2C)CC
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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 C14H19N5O5S MW 369.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19N5O5S/c1-4-7(12(22)24-5-2)25-14-16-10-9(19(14)6-8(15)20)11(21)17-13(23)18(10)3/h7H,4-6H2,1-3H3,(H2,15,20)(H,17,21,23)InChIKey
BKHVFUYRLOVIMO-UHFFFAOYSA-NSynonyms
303969-48-4303969484
CCC(C(=O)OCC)SC1=NC2=C(N1CC(=O)N)C(=O)NC(=O)N2C
CCOC(=O)C(Sc1nc2c(n1CC(=O)N)c(=O)(nH)c(=O)n2C)CC
ethyl2((7(2amino2oxoethyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)butanoate
ethyl2((7(2amino2oxoethyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)butanoate
ETHYL2(7(2AMINO2OXOETHYL)3METHYL26DIOXOPURIN8YL)SULFANYLBUTANOATE
ETHYL2(7(CARBAMOYLMETHYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)BUTANOATE
InChI=1SC14H19N5O5Sc147(12(22)2452)251416109(19(14)68(15)20)11(21)1713(23)18(10)3h7H46H213H3(H21520)(H172123)
MFCD01554629
STK033015
ZINC000006197328
ZINC000006197453
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