Vitas-M small molecule compound
ethyl {[7-(4-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STK024997
SMILES CCOC(=O)CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C
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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 C17H17ClN4O4S MW 408.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN4O4S/c1-3-26-12(23)9-27-17-19-14-13(15(24)20-16(25)21(14)2)22(17)8-10-4-6-11(18)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,20,24,25)InChIKey
ISUGUAZEVGSMHR-UHFFFAOYSA-NSynonyms
328072-71-5328072715
CCOC(=O)CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C
CCOC(=O)CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)(nH)c(=O)n2C
ethyl((7(4chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
ethyl2((7(4chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
ETHYL2(7((4CHLOROPHENYL)METHYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETATE
InChI=1SC17H17ClN4O4Sc132612(23)92717191413(15(24)2016(25)21(14)2)22(17)8104611(18)7510h47H389H212H3(H202425)
MFCD01051150
STK024997
ZINC000000627216
ZINC00627216
ZINC627216
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