Vitas-M small molecule compound
methyl 4-{[7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate
Catalog ID
STK732240
SMILES COC(=O)c1ccc(cc1)Oc1nc2c(n1Cc1ccc(cc1Cl)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 C22H18Cl2N4O5 MW 489.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18Cl2N4O5/c1-26-18-17(19(29)27(2)22(26)31)28(11-13-4-7-14(23)10-16(13)24)21(25-18)33-15-8-5-12(6-9-15)20(30)32-3/h4-10H,11H2,1-3H3InChIKey
NPKGVEYCEUZJML-UHFFFAOYSA-NSynonyms
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C(=O)OC)CC4=C(C=C(C=C4)Cl)Cl
InChI=1SC22H18Cl2N4O5c1261817(19(29)27(2)22(26)31)28(11134714(23)1016(13)24)21(2518)33158512(6915)20(30)323h410H11H213H3
methyl4((7(24dichlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)oxy)benzoate
METHYL4(7((24DICHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)OXYBENZOATE
MFCD02921140
ZINC000000666056
ZINC00666056
ZINC666056
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