Vitas-M small molecule compound

3-(4-acetylpiperazin-1-yl)-4-[(2-phenylethyl)amino]cyclobut-3-ene-1,2-dione

Catalog ID
STL157831
SMILES CC(=O)N1CCN(CC1)C1=C(C(=O)C1=O)NCCc1ccccc1

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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 C18H21N3O3 MW 327.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3/c1-13(22)20-9-11-21(12-10-20)16-15(17(23)18(16)24)19-8-7-14-5-3-2-4-6-14/h2-6,19H,7-12H2,1H3
InChIKey
QOLHDMMKSDLGNY-UHFFFAOYSA-N
Synonyms
1282142-56-6
1282142566
3(4acetylpiperazin1yl)4((2phenylethyl)amino)cyclobut3ene12dione
3(4acetylpiperazin1yl)4(2phenylethylamino)cyclobut3ene12dione
3(4acetylpiperazin1yl)4(phenethylamino)cyclobut3ene12dione
CC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCCC3=CC=CC=C3
InChI=1SC18H21N3O3c113(22)2091121(121020)1615(17(23)18(16)24)1987145324614h2619H712H21H3
MFCD18799831
ZINC000101442286
ZINC101442286

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Available files

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