Vitas-M small molecule compound

2-(5-bromo-2-hydroxyphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

Catalog ID
STK531355
SMILES CCCC12CN3CC(C2=O)(CN(C1)C3c1cc(Br)ccc1O)CCC

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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 C20H27BrN2O2 MW 407.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27BrN2O2/c1-3-7-19-10-22-12-20(8-4-2,18(19)25)13-23(11-19)17(22)15-9-14(21)5-6-16(15)24/h5-6,9,17,24H,3-4,7-8,10-13H2,1-2H3
InChIKey
IJVXOPNJINBKST-UHFFFAOYSA-N
Synonyms

(1R3S5r7r)2(5bromo2hydroxyphenyl)57dipropyl13diazaadamantan6one
2(5bromo2hydroxyphenyl)57dipropyl13diazatricyclo(3311~37~)decan6one
CCCC12CN3CC(C1=O)(CN(C2)C3C4=C(C=CC(=C4)Br)O)CCC
InChI=1SC20H27BrN2O2c1371910221220(84218(19)25)1323(1119)17(22)15914(21)5616(15)24h5691724H34781013H212H3
MFCD02950040
ZINC000019323914
ZINC19323914

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Available files

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