Vitas-M small molecule compound
ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK684115
SMILES CCOC(=O)C1=C(CN2CCN(CC2)C23CC4CC(C3)CC(C2)C4)NC(=O)NC1c1cc(C)ccc1C
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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 C30H42N4O3 MW 506.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H42N4O3/c1-4-37-28(35)26-25(31-29(36)32-27(26)24-11-19(2)5-6-20(24)3)18-33-7-9-34(10-8-33)30-15-21-12-22(16-30)14-23(13-21)17-30/h5-6,11,21-23,27H,4,7-10,12-18H2,1-3H3,(H2,31,32,36)InChIKey
XBRQAQUVRMMMOQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CN3CCN(CC3)C45CC6CC(C4)CC(C6)C5
ethyl4(25dimethylphenyl)2oxo6((4(tricyclo(3311~37~)dec1yl)piperazin1yl)methyl)1234tetrahydropyrimidine5carboxylate
ETHYL6((4(1ADAMANTYL)PIPERAZIN1YL)METHYL)4(25DIMETHYLPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC30H42N4O3c143728(35)2625(3129(36)3227(26)241119(2)5620(24)3)18337934(10833)3015211222(1630)1423(1321)1730h5611212327H47101218H213H3(H2313236)
MFCD05259659
ZINC000022828657
ZINC000022828660
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