Vitas-M small molecule compound
pentyl [8-bromo-7-(4-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate
Catalog ID
STK020798
SMILES CCCCCOC(=O)Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccc(cc1)Cl)c(n2)Br
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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 C20H22BrClN4O4 MW 497.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrClN4O4/c1-3-4-5-10-30-15(27)12-26-18(28)16-17(24(2)20(26)29)23-19(21)25(16)11-13-6-8-14(22)9-7-13/h6-9H,3-5,10-12H2,1-2H3InChIKey
HKPMIXICIHNPIR-UHFFFAOYSA-NSynonyms
331840-02-9331840029
CCCCCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)Cl)Br)N(C1=O)C
CCCCCOC(=O)Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccc(cc1)Cl)c(n2)Br
InChI=1SC20H22BrClN4O4c1345103015(27)122618(28)1617(24(2)20(26)29)2319(21)25(16)11136814(22)9713h69H351012H212H3
MFCD01051232
pentyl(8bromo7(4chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin1yl)acetate
PENTYL2(8BROMO7((4CHLOROPHENYL)METHYL)3METHYL26DIOXOPURIN1YL)ACETATE
pentyl2(8bromo7(4chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin1yl)acetate
STK020798
ZINC000002057959
ZINC02057959
ZINC2057959
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