Vitas-M small molecule compound
benzyl {[1,3-dimethyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STK839888
SMILES O=C(CSc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C)OCc1ccccc1
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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 C24H24N4O4S MW 464.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O4S/c1-16-8-7-11-18(12-16)13-28-20-21(26(2)24(31)27(3)22(20)30)25-23(28)33-15-19(29)32-14-17-9-5-4-6-10-17/h4-12H,13-15H2,1-3H3InChIKey
BAWXSSQFNXSCCG-UHFFFAOYSA-NSynonyms
385395-16-4385395164
benzyl((13dimethyl7(3methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
benzyl2((13dimethyl7(3methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
BENZYL2(13DIMETHYL7((3METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLACETATE
CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=O)OCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C
InChI=1SC24H24N4O4Sc116871118(1216)13282021(26(2)24(31)27(3)22(20)30)2523(28)331519(29)32141795461017h412H1315H213H3
MFCD03285937
PHENYLMETHYL2(13DIMETHYL7((3METHYLPHENYL)METHYL)26DIOXO137TRIHYDROPURIN8YLTHIO)ACETATE
ZINC000000637870
ZINC00637870
ZINC637870
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