Vitas-M small molecule compound

4-{2-[(2-fluorobenzyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperazine-1-carbaldehyde

Catalog ID
STL157247
SMILES O=CN1CCN(CC1)C1=C(C(=O)C1=O)NCc1ccccc1F

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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/c17-12-4-2-1-3-11(12)9-18-13-14(16(23)15(13)22)20-7-5-19(10-21)6-8-20/h1-4,10,18H,5-9H2
InChIKey
JBTCBWJGQJRJQF-UHFFFAOYSA-N
Synonyms
1282120-23-3
1282120233
4(2((2fluorobenzyl)amino)34dioxocyclobut1en1yl)piperazine1carbaldehyde
4(2((2fluorophenyl)methylamino)34dioxocyclobuten1yl)piperazine1carbaldehyde
C1CN(CCN1C=O)C2=C(C(=O)C2=O)NCC3=CC=CC=C3F
InChI=1SC16H16FN3O3c1712421311(12)9181314(16(23)15(13)22)207519(1021)6820h141018H59H2
MFCD18797895
ZINC000101694965
ZINC101694965

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Available files

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