Vitas-M small molecule compound
4-{2-[(3-fluorobenzyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperazine-1-carbaldehyde
Catalog ID
STL156688
SMILES O=CN1CCN(CC1)C1=C(C(=O)C1=O)NCc1cccc(c1)F
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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 C16H16FN3O3 MW 317.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16FN3O3/c17-12-3-1-2-11(8-12)9-18-13-14(16(23)15(13)22)20-6-4-19(10-21)5-7-20/h1-3,8,10,18H,4-7,9H2InChIKey
MKLQGHOWEFOERB-UHFFFAOYSA-NSynonyms
1282101-91-01282101910
4(2((3fluorobenzyl)amino)34dioxocyclobut1en1yl)piperazine1carbaldehyde
4(2((3fluorophenyl)methylamino)34dioxocyclobuten1yl)piperazine1carbaldehyde
C1CN(CCN1C=O)C2=C(C(=O)C2=O)NCC3=CC(=CC=C3)F
InChI=1SC16H16FN3O3c171231211(812)9181314(16(23)15(13)22)206419(1021)5720h1381018H479H2
MFCD18800310
ZINC000101704278
ZINC101704278
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