Vitas-M small molecule compound

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

Catalog ID
STK530340
SMILES COC(=O)CSc1nc2c(n1Cc1ccccc1Cl)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 C17H17ClN4O4S MW 408.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN4O4S/c1-20-14-13(15(24)21(2)17(20)25)22(8-10-6-4-5-7-11(10)18)16(19-14)27-9-12(23)26-3/h4-7H,8-9H2,1-3H3
InChIKey
XFVCRWRBHHKWRK-UHFFFAOYSA-N
Synonyms
374912-92-2
374912922
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)OC)CC3=CC=CC=C3Cl
InChI=1SC17H17ClN4O4Sc1201413(15(24)21(2)17(20)25)22(810645711(10)18)16(1914)27912(23)263h47H89H213H3
methyl((7(2chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
methyl2((7(2chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
METHYL2(7((2CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETATE
MFCD01946170
ZINC000000625449
ZINC00625449
ZINC625449

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Available files

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