Vitas-M small molecule compound
methyl {8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Catalog ID
STK587026
SMILES COC(=O)Cn1c(CN2CCC(CC2)Cc2ccccc2)nc2c1c(=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 C23H29N5O4 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O4/c1-25-21-20(22(30)26(2)23(25)31)28(15-19(29)32-3)18(24-21)14-27-11-9-17(10-12-27)13-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3InChIKey
BCWYUYNEIBXTKY-UHFFFAOYSA-NSynonyms
851940-42-6851940426
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CC(=O)OC
InChI=1SC23H29N5O4c1252120(22(30)26(2)23(25)31)28(1519(29)323)18(2421)142711917(101227)13167546816h4817H915H213H3
methyl(8((4benzylpiperidin1yl)methyl)13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetate
METHYL2(13DIMETHYL26DIOXO8((4BENZYLPIPERIDYL)METHYL)137TRIHYDROPURIN7YL)ACETATE
methyl2(8((4benzylpiperidin1yl)methyl)13dimethyl26dioxo23dihydro1Hpurin7(6H)yl)acetate
METHYL2(8((4BENZYLPIPERIDIN1YL)METHYL)13DIMETHYL26DIOXOPURIN7YL)ACETATE
MFCD04466515
ZINC000002228975
ZINC2228975
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