Vitas-M small molecule compound
2-(3-bromophenyl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Catalog ID
STK772964
SMILES CCCC12CN3CC(C2=O)(CN(C1)C3c1cccc(c1)Br)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 C18H23BrN2O MW 363.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23BrN2O/c1-3-7-18-11-20-9-17(2,16(18)22)10-21(12-18)15(20)13-5-4-6-14(19)8-13/h4-6,8,15H,3,7,9-12H2,1-2H3InChIKey
MBIBQNYAUFTOEQ-UHFFFAOYSA-NSynonyms
(1S5R7S)2(3bromophenyl)5methyl7propyl13diazaadamantan6one
2(3bromophenyl)5methyl7propyl13diazatricyclo(3311~37~)decan6one
CCC(C@)12CN3C(C@@)(C2=O)(CN(C1)C3c1cccc(c1)Br)C
CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC(=CC=C4)Br)C
InChI=1SC18H23BrN2Oc137181120917(216(18)22)1021(1218)15(20)1354614(19)813h46815H37912H212H3
MFCD03821058
ZINC000019321132
ZINC19321132
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