Vitas-M small molecule compound
5-butyl-7-methyl-2-(3-methylphenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Catalog ID
STL522387
SMILES CCCCC12CN3CC(C2=O)(CN(C1)C3c1cccc(c1)C)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 C20H28N2O MW 312.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O/c1-4-5-9-20-13-21-11-19(3,18(20)23)12-22(14-20)17(21)16-8-6-7-15(2)10-16/h6-8,10,17H,4-5,9,11-14H2,1-3H3InChIKey
CQZWKSGLHNUDFT-UHFFFAOYSA-NSynonyms
956048-28-5(5s7s)5butyl7methyl2(mtolyl)13diazaadamantan6one
1762957
5butyl7methyl2(3methylphenyl)13diazatricyclo(3311^(37))decan6one
5butyl7methyl2(3methylphenyl)13diazatricyclo(3311~37~)decan6one
956048285
CCCC(C@)12CN3C(C@@)(C2=O)(CN(C1)C3c1cccc(c1)C)C
InChI=1SC20H28N2Oc14592013211119(318(20)23)1222(1420)17(21)1686715(2)1016h681017H4591114H213H3
MFCD06166308
ZINC000019320124
ZINC19320124
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