Vitas-M small molecule compound

3-(4-benzylpiperazin-1-yl)-4-[(3-fluorobenzyl)amino]cyclobut-3-ene-1,2-dione

Catalog ID
STL158500
SMILES Fc1cccc(c1)CNC1=C(C(=O)C1=O)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 C22H22FN3O2 MW 379.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN3O2/c23-18-8-4-7-17(13-18)14-24-19-20(22(28)21(19)27)26-11-9-25(10-12-26)15-16-5-2-1-3-6-16/h1-8,13,24H,9-12,14-15H2
InChIKey
YJNAQLLEHRVMGX-UHFFFAOYSA-N
Synonyms
1282122-59-1
1282122591
3(4benzylpiperazin1yl)4((3fluorobenzyl)amino)cyclobut3ene12dione
3(4benzylpiperazin1yl)4((3fluorophenyl)methylamino)cyclobut3ene12dione
C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)C3=O)NCC4=CC(=CC=C4)F
InChI=1SC22H22FN3O2c231884717(1318)14241920(22(28)21(19)27)2611925(101226)15165213616h181324H9121415H2
MFCD18800105
ZINC000101703510
ZINC101703510

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Available files

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