Vitas-M small molecule compound

2-{[1,3-dimethyl-7-(2-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-fluoro-3-methylphenyl)acetamide

Catalog ID
STK743418
SMILES O=C(Nc1ccc(c(c1)C)F)CSc1nc2c(n1Cc1ccccc1C)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 C24H24FN5O3S MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24FN5O3S/c1-14-7-5-6-8-16(14)12-30-20-21(28(3)24(33)29(4)22(20)32)27-23(30)34-13-19(31)26-17-9-10-18(25)15(2)11-17/h5-11H,12-13H2,1-4H3,(H,26,31)
InChIKey
IBZMMFSSFOLWON-UHFFFAOYSA-N
Synonyms

2((13dimethyl7(2methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(4fluoro3methylphenyl)acetamide
2(13DIMETHYL7((2METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLN(4FLUORO3METHYLPHENYL)ACETAMIDE
CC1=CC=CC=C1CN2C3=C(N=C2SCC(=O)NC4=CC(=C(C=C4)F)C)N(C(=O)N(C3=O)C)C
InChI=1SC24H24FN5O3Sc114756816(14)12302021(28(3)24(33)29(4)22(20)32)2723(30)341319(31)261791018(25)15(2)1117h511H1213H214H3(H2631)
MFCD03821621
ZINC000001080228
ZINC01080228
ZINC1080228

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Available files

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