Vitas-M small molecule compound

ethyl {[7-(2-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate

Catalog ID
STK805447
SMILES CCOC(=O)CSc1nc2c(n1Cc1ccccc1Cl)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)8-10-6-4-5-7-11(10)18/h4-7H,3,8-9H2,1-2H3,(H,20,24,25)
InChIKey
XJUOSPBNGZKRGU-UHFFFAOYSA-N
Synonyms
313470-35-8
313470358
CCOC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C
CCOC(=O)CSc1nc2c(n1Cc1ccccc1Cl)c(=O)(nH)c(=O)n2C
ethyl((7(2chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
ethyl2((7(2chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
ETHYL2(7((2CHLOROPHENYL)METHYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)ACETATE
ETHYL2(7((2CHLOROPHENYL)METHYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETATE
InChI=1SC17H17ClN4O4Sc132612(23)92717191413(15(24)2016(25)21(14)2)22(17)810645711(10)18h47H389H212H3(H202425)
MFCD01051730
ZINC000000627300
ZINC00627300
ZINC627300

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.