Vitas-M small molecule compound

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

Catalog ID
STK158091
SMILES O=C(c1cccs1)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 C24H24N4O3S MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O3S/c29-24(23-6-3-15-32-23)26-13-11-25(12-14-26)20-7-8-21(28(30)31)22(16-20)27-10-9-18-4-1-2-5-19(18)17-27/h1-8,15-16H,9-14,17H2
InChIKey
DNYBLWRQMSTERA-UHFFFAOYSA-N
Synonyms
592466-70-1
(4(3(34DIHYDRO1HISOQUINOLIN2YL)4NITROPHENYL)PIPERAZIN1YL)THIOPHEN2YLMETHANONE
(4(3(34DIHYDROISOQUINOLIN2(1H)YL)4NITROPHENYL)PIPERAZIN1YL)(THIOPHEN2YL)METHANONE
592466701
C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CS5)(N+)(=O)(O)
InChI=1SC24H24N4O3Sc2924(2363153223)26131125(121426)207821(28(30)31)22(1620)2710918412519(18)1727h181516H91417H2
MFCD03689707
O=C(c1cccs1)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)(N+)(=O)(O)
ZINC000009041932
ZINC09041932
ZINC9041932

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Available files

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