Vitas-M small molecule compound
3-(4-benzylpiperazin-1-yl)-4-[(2-chlorobenzyl)amino]cyclobut-3-ene-1,2-dione
Catalog ID
STL152645
SMILES O=C1C(=O)C(=C1NCc1ccccc1Cl)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 C22H22ClN3O2 MW 395.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O2/c23-18-9-5-4-8-17(18)14-24-19-20(22(28)21(19)27)26-12-10-25(11-13-26)15-16-6-2-1-3-7-16/h1-9,24H,10-15H2InChIKey
NBXRBQDGDMAITI-UHFFFAOYSA-NSynonyms
1282142-37-31282142373
3(4benzylpiperazin1yl)4((2chlorobenzyl)amino)cyclobut3ene12dione
3(4benzylpiperazin1yl)4((2chlorophenyl)methylamino)cyclobut3ene12dione
C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)C3=O)NCC4=CC=CC=C4Cl
InChI=1SC22H22ClN3O2c2318954817(18)14241920(22(28)21(19)27)26121025(111326)15166213716h1924H1015H2
MFCD18799704
ZINC000101701708
ZINC101701708
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