Vitas-M small molecule compound
2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Catalog ID
STL388418
SMILES O=C(Nc1ccc(cc1)F)CSc1nc2c(n1Cc1cccc(c1)Cl)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 C22H19ClFN5O3S MW 487.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClFN5O3S/c1-27-19-18(20(31)28(2)22(27)32)29(11-13-4-3-5-14(23)10-13)21(26-19)33-12-17(30)25-16-8-6-15(24)7-9-16/h3-10H,11-12H2,1-2H3,(H,25,30)InChIKey
DTRHGDXUQKRPSC-UHFFFAOYSA-NSynonyms
2((7(3chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(4fluorophenyl)acetamide
2(7((3CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLN(4FLUOROPHENYL)ACETAMIDE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)F)CC4=CC(=CC=C4)Cl
InChI=1SC22H19ClFN5O3Sc1271918(20(31)28(2)22(27)32)29(111343514(23)1013)21(2619)331217(30)25168615(24)7916h310H1112H212H3(H2530)
MFCD03235377
ZINC000001177021
ZINC01177021
ZINC1177021
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