Vitas-M small molecule compound
[8-(4-benzylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetic acid
Catalog ID
STL158698
SMILES OC(=O)Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCC(CC1)Cc1ccccc1
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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 C21H25N5O4 MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O4/c1-23-18-17(19(29)24(2)21(23)30)26(13-16(27)28)20(22-18)25-10-8-15(9-11-25)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,27,28)InChIKey
FUGDKNJNSBXEGG-UHFFFAOYSA-NSynonyms
1021099-37-5(8(4benzylpiperidin1yl)13dimethyl26dioxo1236tetrahydro7Hpurin7yl)aceticacid
1021099375
2(13DIMETHYL26DIOXO8(4BENZYLPIPERIDYL)137TRIHYDROPURIN7YL)ACETICACID
2(8(4BENZYLPIPERIDIN1YL)13DIMETHYL26DIOXO23DIHYDRO1HPURIN7(6H)YL)ACETICACID
2(8(4benzylpiperidin1yl)13dimethyl26dioxopurin7yl)aceticacid
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC(=O)O
InChI=1SC21H25N5O4c1231817(19(29)24(2)21(23)30)26(1316(27)28)20(2218)2510815(91125)12146435714h3715H813H212H3(H2728)
MFCD09986869
ZINC000011693966
ZINC11693966
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