Vitas-M small molecule compound

{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-fluorophenyl)methanone

Catalog ID
STK029464
SMILES Fc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)[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 C26H25FN4O3 MW 460.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25FN4O3/c27-22-7-5-20(6-8-22)26(32)29-15-13-28(14-16-29)23-9-10-24(31(33)34)25(17-23)30-12-11-19-3-1-2-4-21(19)18-30/h1-10,17H,11-16,18H2
InChIKey
APYWIVGCSHDTBJ-UHFFFAOYSA-N
Synonyms

(4(3(34DIHYDRO1HISOQUINOLIN2YL)4NITROPHENYL)PIPERAZIN1YL)(4FLUOROPHENYL)METHANONE
(4(3(34DIHYDROISOQUINOLIN2(1H)YL)4NITROPHENYL)PIPERAZIN1YL)(4FLUOROPHENYL)METHANONE
C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)F)(N+)(=O)(O)
Fc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)(N+)(=O)(O)
InChI=1SC26H25FN4O3c27227520(6822)26(32)29151328(141629)2391024(31(33)34)25(1723)30121119312421(19)1830h11017H111618H2
MFCD03031004
STK029464
ZINC000009113737
ZINC09113737
ZINC9113737

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Available files

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