Vitas-M small molecule compound
ethyl {[1-(2-chlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STL507726
SMILES CCOC(=O)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1Cl
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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 C18H19ClN4O4S MW 422.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN4O4S/c1-4-27-13(24)10-28-17-20-15-14(21(17)2)16(25)23(18(26)22(15)3)9-11-7-5-6-8-12(11)19/h5-8H,4,9-10H2,1-3H3InChIKey
XXOBFJSJJGUUPJ-UHFFFAOYSA-NSynonyms
646998
ethyl((1(2chlorobenzyl)37dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
ETHYL2(1((2CHLOROPHENYL)METHYL)37DIMETHYL26DIOXOPURIN8YL)SULFANYLACETATE
InChI=1SC18H19ClN4O4Sc142713(24)102817201514(21(17)2)16(25)23(18(26)22(15)3)911756812(11)19h58H4910H213H3
MFCD03698045
ZINC000000666998
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