Vitas-M small molecule compound

N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide

Catalog ID
STK238983
SMILES O=C(N1CCc2c(C1)cccc2)CN(S(=O)(=O)C)c1cccc(c1)[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 C18H19N3O5S MW 389.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O5S/c1-27(25,26)20(16-7-4-8-17(11-16)21(23)24)13-18(22)19-10-9-14-5-2-3-6-15(14)12-19/h2-8,11H,9-10,12-13H2,1H3
InChIKey
OVPJIOJKPAVPCZ-UHFFFAOYSA-N
Synonyms

CS(=O)(=O)N(CC(=O)N1CCC2=CC=CC=C2C1)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC18H19N3O5Sc127(2526)20(1674817(1116)21(23)24)1318(22)1910914523615(14)1219h2811H9101213H21H3
MFCD03715491
N(2(34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)N(3NITROPHENYL)METHANESULFONAMIDE
N(2(34DIHYDRO2(1H)ISOQUINOLINYL)2OXOETHYL)N(3NITROPHENYL)METHANESULFONAMIDE(NONPREFERREDNAME)
N(2(34DIHYDROISOQUINOLIN2(1H)YL)2OXOETHYL)N(3NITROPHENYL)METHANESULFONAMIDE
O=C(N1CCc2c(C1)cccc2)CN(S(=O)(=O)C)c1cccc(c1)(N+)(=O)(O)
ZINC000001149538
ZINC01149538
ZINC1149538

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Available files

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