Vitas-M small molecule compound
dimethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK684307
SMILES COC(=O)C1=CN(CCC23CC4CC(C3)CC(C2)C4)C=C(C1c1cc2OCOc2cc1Br)C(=O)OC
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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 C28H32BrNO6 MW 558.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32BrNO6/c1-33-26(31)20-13-30(4-3-28-10-16-5-17(11-28)7-18(6-16)12-28)14-21(27(32)34-2)25(20)19-8-23-24(9-22(19)29)36-15-35-23/h8-9,13-14,16-18,25H,3-7,10-12,15H2,1-2H3InChIKey
SJPCIJGHLRPEIK-UHFFFAOYSA-NSynonyms
COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OC)CCC45CC6CC(C4)CC(C6)C5
DIMETHYL1(2(1ADAMANTYL)ETHYL)4(6BROMO13BENZODIOXOL5YL)4HPYRIDINE35DICARBOXYLATE
dimethyl4(6bromo13benzodioxol5yl)1(2(tricyclo(3311~37~)dec1yl)ethyl)14dihydropyridine35dicarboxylate
InChI=1SC28H32BrNO6c13326(31)201330(43281016517(1128)718(616)1228)1421(27(32)342)25(20)1982324(922(19)29)36153523h891314161825H37101215H212H3
MFCD05260310
ZINC000098007022
ZINC98007022
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