Vitas-M small molecule compound

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

Catalog ID
STK157727
SMILES [O-][N+](=O)c1ccc(cc1N1CCc2c(C1)cccc2)N1CCN(CC1)C(=O)c1ccccc1C

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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/c1-20-6-2-5-9-24(20)27(32)29-16-14-28(15-17-29)23-10-11-25(31(33)34)26(18-23)30-13-12-21-7-3-4-8-22(21)19-30/h2-11,18H,12-17,19H2,1H3
InChIKey
CWKLJPACDGYDAK-UHFFFAOYSA-N
Synonyms
591736-06-0
(4(3(34DIHYDRO1HISOQUINOLIN2YL)4NITROPHENYL)PIPERAZIN1YL)(2METHYLPHENYL)METHANONE
(4(3(34DIHYDROISOQUINOLIN2(1H)YL)4NITROPHENYL)PIPERAZIN1YL)(2METHYLPHENYL)METHANONE
(4(3(34dihydroisoquinolin2(1H)yl)4nitrophenyl)piperazin1yl)(otolyl)methanone
(O)(N+)(=O)c1ccc(cc1N1CCc2c(C1)cccc2)N1CCN(CC1)C(=O)c1ccccc1C
591736060
CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCC5=CC=CC=C5C4
InChI=1SC27H28N4O3c120625924(20)27(32)29161428(151729)23101125(31(33)34)26(1823)30131221734822(21)1930h21118H121719H21H3
MFCD03684894
ZINC000009122116
ZINC09122116
ZINC9122116

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Available files

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