Vitas-M small molecule compound

{4-[4-fluoro-5-(2-methylpiperidin-1-yl)-2-nitrophenyl]piperazin-1-yl}(furan-2-yl)methanone

Catalog ID
STK777029
SMILES CC1CCCCN1c1cc(N2CCN(CC2)C(=O)c2ccco2)c(cc1F)[N+](=O)[O-]

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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 C21H25FN4O4 MW 416.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25FN4O4/c1-15-5-2-3-7-25(15)17-14-18(19(26(28)29)13-16(17)22)23-8-10-24(11-9-23)21(27)20-6-4-12-30-20/h4,6,12-15H,2-3,5,7-11H2,1H3
InChIKey
BMTVAIXEUAXKMA-UHFFFAOYSA-N
Synonyms

(4(4fluoro5(2methylpiperidin1yl)2nitrophenyl)piperazin1yl)(furan2yl)methanone
CC1CCCCN1c1cc(N2CCN(CC2)C(=O)c2ccco2)c(cc1F)(N+)(=O)(O)
CC1CCCCN1C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC=CO4)(N+)(=O)(O))F
InChI=1SC21H25FN4O4c115523725(15)171418(19(26(28)29)1316(17)22)2381024(11923)21(27)2064123020h461215H235711H21H3
MFCD04214056
ZINC000004624317
ZINC000004624321

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Available files

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