Vitas-M small molecule compound

1-[(4-benzylpiperazin-1-yl)carbonyl]-4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione

Catalog ID
STK855053
SMILES O=C(C12CCC(C2(C)C)(C(=O)C1=O)C)N1CCN(CC1)Cc1ccccc1

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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 C22H28N2O3 MW 368.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O3/c1-20(2)21(3)9-10-22(20,18(26)17(21)25)19(27)24-13-11-23(12-14-24)15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKey
ODUKDQQDXYYVPC-UHFFFAOYSA-N
Synonyms
889300-35-0
(1S4R)1(4benzylpiperazine1carbonyl)477trimethylbicyclo(221)heptane23dione
1((4benzylpiperazin1yl)carbonyl)477trimethylbicyclo(221)heptane23dione
4(4benzylpiperazine1carbonyl)177trimethylbicyclo(221)heptane23dione
889300350
CC1(C2(CCC1(C(=O)C2=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C)C
InChI=1SC22H28N2O3c120(2)21(3)91022(2018(26)17(21)25)19(27)24131123(121424)15167546816h48H915H213H3
MFCD08290621
ZINC000020589913

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.