Vitas-M small molecule compound

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

Catalog ID
STK157669
SMILES Cc1ccc(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 C27H28N4O3 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3/c1-20-6-8-22(9-7-20)27(32)29-16-14-28(15-17-29)24-10-11-25(31(33)34)26(18-24)30-13-12-21-4-2-3-5-23(21)19-30/h2-11,18H,12-17,19H2,1H3
InChIKey
BPQUBVPQESFQKJ-UHFFFAOYSA-N
Synonyms
642430-18-0
(4(3(34DIHYDRO1HISOQUINOLIN2YL)4NITROPHENYL)PIPERAZIN1YL)(4METHYLPHENYL)METHANONE
(4(3(34DIHYDROISOQUINOLIN2(1H)YL)4NITROPHENYL)PIPERAZIN1YL)(4METHYLPHENYL)METHANONE
(4(3(34dihydroisoquinolin2(1H)yl)4nitrophenyl)piperazin1yl)(ptolyl)methanone
642430180
CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCC5=CC=CC=C5C4
Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)(N+)(=O)(O)
InChI=1SC27H28N4O3c1206822(9720)27(32)29161428(151729)24101125(31(33)34)26(1824)30131221423523(21)1930h21118H121719H21H3
MFCD03687894
ZINC000008837019
ZINC08837019
ZINC8837019

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Available files

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