Vitas-M small molecule compound

{1-[3-(benzyloxy)benzyl]piperidin-4-yl}[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

Catalog ID
STK035737
SMILES O=C(N1CCN(CC1)c1cccc(c1C)C)C1CCN(CC1)Cc1cccc(c1)OCc1ccccc1

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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 C32H39N3O2 MW 497.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39N3O2/c1-25-8-6-13-31(26(25)2)34-18-20-35(21-19-34)32(36)29-14-16-33(17-15-29)23-28-11-7-12-30(22-28)37-24-27-9-4-3-5-10-27/h3-13,22,29H,14-21,23-24H2,1-2H3
InChIKey
PMWOWTQIFUSHID-UHFFFAOYSA-N
Synonyms

(1(3(BENZYLOXY)BENZYL)PIPERIDIN4YL)(4(23DIMETHYLPHENYL)PIPERAZIN1YL)METHANONE
(4(23DIMETHYLPHENYL)PIPERAZIN1YL)(1((3PHENYLMETHOXYPHENYL)METHYL)PIPERIDIN4YL)METHANONE
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC(=CC=C4)OCC5=CC=CC=C5)C
InChI=1SC32H39N3O2c125861331(26(25)2)34182035(211934)32(36)29141633(171529)23281171230(2228)37242794351027h3132229H14212324H212H3
MFCD03137682
O=C(N1CCN(CC1)c1cccc(c1C)C)C1CCN(CC1)Cc1cccc(c1)OCc1ccccc1
STK035737
ZINC000009246626
ZINC9246626

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Available files

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