Vitas-M small molecule compound
methyl 4-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate
Catalog ID
STK742873
SMILES COC(=O)c1ccc(cc1)Oc1nc2c(n1Cc1ccccc1Cl)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 C22H19ClN4O5 MW 454.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O5/c1-25-18-17(19(28)26(2)22(25)30)27(12-14-6-4-5-7-16(14)23)21(24-18)32-15-10-8-13(9-11-15)20(29)31-3/h4-11H,12H2,1-3H3InChIKey
CMHZGZRXYMEPMQ-UHFFFAOYSA-NSynonyms
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4Cl
InChI=1SC22H19ClN4O5c1251817(19(28)26(2)22(25)30)27(1214645716(14)23)21(2418)321510813(91115)20(29)313h411H12H213H3
methyl4((7(2chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)oxy)benzoate
METHYL4(7((2CHLOROPHENYL)METHYL)13DIMETHYL26DIOXO137TRIHYDROPURIN8YLOXY)BENZOATE
METHYL4(7((2CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)OXYBENZOATE
MFCD02637633
ZINC000000693405
ZINC00693405
ZINC693405
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