Vitas-M small molecule compound
{[7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
Catalog ID
STL507897
SMILES OC(=O)CSc1nc2c(n1Cc1c(F)cccc1Cl)c(=O)n(c(=O)n2C)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 C16H14ClFN4O4S MW 412.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClFN4O4S/c1-20-13-12(14(25)21(2)16(20)26)22(15(19-13)27-7-11(23)24)6-8-9(17)4-3-5-10(8)18/h3-5H,6-7H2,1-2H3,(H,23,24)InChIKey
KAFAHIWROABUQY-UHFFFAOYSA-NSynonyms
((7(2chloro6fluorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
2(7((2CHLORO6FLUOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETICACID
5170264
InChI=1SC16H14ClFN4O4Sc1201312(14(25)21(2)16(20)26)22(15(1913)27711(23)24)689(17)43510(8)18h35H67H212H3(H2324)
MFCD02623452
ZINC000002494788
ZINC2494788
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