Vitas-M small molecule compound

2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STK286050
SMILES O=C(N1CCN(CC1)Cc1ccccc1)CN1C(=O)C2C(C1=O)C1CC2CC1

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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 C22H27N3O3 MW 381.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3/c26-18(24-10-8-23(9-11-24)13-15-4-2-1-3-5-15)14-25-21(27)19-16-6-7-17(12-16)20(19)22(25)28/h1-5,16-17,19-20H,6-14H2
InChIKey
AYACCIVVNHUZME-UHFFFAOYSA-N
Synonyms
345244-86-2
2(2(4benzylpiperazin1yl)2oxoethyl)hexahydro1H47methanoisoindole13(2H)dione
345244862
C1CC2CC1C3C2C(=O)N(C3=O)CC(=O)N4CCN(CC4)CC5=CC=CC=C5
InChI=1SC22H27N3O3c2618(2410823(91124)13154213515)142521(27)19166717(1216)20(19)22(25)28h1516171920H614H2
MFCD01623277
ZINC000100622669
ZINC000101280597

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Available files

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