Vitas-M small molecule compound
ethyl {[1,3-dimethyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STK840688
SMILES CCOC(=O)CSc1nc2c(n1Cc1cccc(c1)C)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 C19H22N4O4S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O4S/c1-5-27-14(24)11-28-18-20-16-15(17(25)22(4)19(26)21(16)3)23(18)10-13-8-6-7-12(2)9-13/h6-9H,5,10-11H2,1-4H3InChIKey
PXICLAMZDAZKDC-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C
ethyl((13dimethyl7(3methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
ethyl2((13dimethyl7(3methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
ETHYL2(13DIMETHYL7((3METHYLPHENYL)METHYL)26DIOXO137TRIHYDROPURIN8YLTHIO)ACETATE
ETHYL2(13DIMETHYL7((3METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLACETATE
InChI=1SC19H22N4O4Sc152714(24)112818201615(17(25)22(4)19(26)21(16)3)23(18)101386712(2)913h69H51011H214H3
MFCD02737557
ZINC000000637388
ZINC00637388
ZINC637388
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