Vitas-M small molecule compound
ethyl 1-[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperidine-3-carboxylate
Catalog ID
STK262604
SMILES CCOC(=O)C1CCCN(C1)c1nc2c(n1Cc1ccc(cc1)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 C22H26ClN5O4 MW 459.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN5O4/c1-4-32-20(30)15-6-5-11-27(13-15)21-24-18-17(19(29)26(3)22(31)25(18)2)28(21)12-14-7-9-16(23)10-8-14/h7-10,15H,4-6,11-13H2,1-3H3InChIKey
VFNMMCDDQYFADF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCCN(C1)C2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C
ethyl1(7((4chlorophenyl)methyl)13dimethyl26dioxopurin8yl)piperidine3carboxylate
ethyl1(7(4chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)piperidine3carboxylate
InChI=1SC22H26ClN5O4c143220(30)15651127(1315)21241817(19(29)26(3)22(31)25(18)2)28(21)12147916(23)10814h71015H461113H213H3
MFCD07037295
ZINC000008775071
ZINC000008775072
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