Vitas-M small molecule compound

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

Catalog ID
STK154802
SMILES O=C(C(C)(C)C)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 C24H30N4O3 MW 422.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O3/c1-24(2,3)23(29)26-14-12-25(13-15-26)20-8-9-21(28(30)31)22(16-20)27-11-10-18-6-4-5-7-19(18)17-27/h4-9,16H,10-15,17H2,1-3H3
InChIKey
HJOAKKNXIIZQPH-UHFFFAOYSA-N
Synonyms
597545-85-2
1(4(3(34DIHYDRO1HISOQUINOLIN2YL)4NITROPHENYL)PIPERAZIN1YL)22DIMETHYLPROPAN1ONE
1(4(3(34DIHYDROISOQUINOLIN2(1H)YL)4NITROPHENYL)PIPERAZIN1YL)22DIMETHYLPROPAN1ONE
597545852
CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3CCC4=CC=CC=C4C3
InChI=1SC24H30N4O3c124(23)23(29)26141225(131526)208921(28(30)31)22(1620)27111018645719(18)1727h4916H101517H213H3
MFCD03923691
O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)(N+)(=O)(O)
ZINC000004687951
ZINC04687951
ZINC4687951

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Available files

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