Vitas-M small molecule compound
methyl 4-{[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate
Catalog ID
STK523987
SMILES COC(=O)c1ccc(cc1)Oc1nc2c(n1Cc1ccc(cc1)C)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 C23H22N4O5 MW 434.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O5/c1-14-5-7-15(8-6-14)13-27-18-19(25(2)23(30)26(3)20(18)28)24-22(27)32-17-11-9-16(10-12-17)21(29)31-4/h5-12H,13H2,1-4H3InChIKey
HDGLTONWMJPUQZ-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)CN2C3=C(N=C2OC4=CC=C(C=C4)C(=O)OC)N(C(=O)N(C3=O)C)C
InChI=1SC23H22N4O5c1145715(8614)13271819(25(2)23(30)26(3)20(18)28)2422(27)321711916(101217)21(29)314h512H13H214H3
methyl4((13dimethyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)oxy)benzoate
METHYL4(13DIMETHYL7((4METHYLPHENYL)METHYL)26DIOXOPURIN8YL)OXYBENZOATE
MFCD03763607
ZINC000000709403
ZINC00709403
ZINC709403
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