Vitas-M small molecule compound
ethyl {[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STL381427
SMILES CCOC(=O)CSc1nc2c(n1Cc1ccc(cc1)Cl)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 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(16(25)22(3)18(26)21(15)2)23(17)9-11-5-7-12(19)8-6-11/h5-8H,4,9-10H2,1-3H3InChIKey
PRWWQBAQTQZMQL-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C
ethyl((7(4chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
ETHYL2(7((4CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETATE
InChI=1SC18H19ClN4O4Sc142713(24)102817201514(16(25)22(3)18(26)21(15)2)23(17)9115712(19)8611h58H4910H213H3
MFCD06003641
ZINC000001051122
ZINC01051122
ZINC1051122
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