Vitas-M small molecule compound

1-[(4-benzylpiperazin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one

Catalog ID
STK845351
SMILES O=C(C12CCC(C2(C)C)(C(=O)O1)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 C21H28N2O3 MW 356.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O3/c1-19(2)20(3)9-10-21(19,26-18(20)25)17(24)23-13-11-22(12-14-23)15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKey
MAMYMGDMOBSRLQ-UHFFFAOYSA-N
Synonyms
577985-41-2
(1S4R)1((4BENZYLPIPERAZIN1YL)CARBONYL)477TRIMETHYL2OXABICYCLO(221)HEPTAN3ONE
(1S4S)1(4BENZYLPIPERAZINE1CARBONYL)477TRIMETHYL2OXABICYCLO(221)HEPTAN3ONE
1((4BENZYL1PIPERAZINYL)CARBONYL)477TRIMETHYL2OXABICYCLO(221)HEPTAN3ONE
1((4benzylpiperazin1yl)carbonyl)477trimethyl2oxabicyclo(221)heptan3one
177TRIMETHYL4((4BENZYLPIPERAZINYL)CARBONYL)3OXABICYCLO(221)HEPTAN2ONE
177TRIMETHYL4(4(PHENYLMETHYL)PIPERAZIN1YL)CARBONYL3OXABICYCLO(221)HEPTAN2ONE
177TRIMETHYL4(OXO(4(PHENYLMETHYL)1PIPERAZINYL)METHYL)3OXABICYCLO(221)HEPTAN2ONE
4(4BENZYLPIPERAZINE1CARBONYL)177TRIMETHYL3OXABICYCLO(221)HEPTAN2ONE
577985412
CC1(C2(CCC1(OC2=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C)C
InChI=1SC21H28N2O3c119(2)20(3)91021(192618(20)25)17(24)23131122(121423)15167546816h48H915H213H3
MFCD03731247
ZINC000020255908

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Available files

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