Vitas-M small molecule compound

2-(2-methylphenoxy)-N-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]acetamide

Catalog ID
STK269063
SMILES O=C(Nc1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])COc1ccccc1C

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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 C23H17N3O6 MW 431.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O6/c1-14-5-2-3-8-20(14)32-13-21(27)24-15-6-4-7-16(11-15)25-22(28)18-10-9-17(26(30)31)12-19(18)23(25)29/h2-12H,13H2,1H3,(H,24,27)
InChIKey
WQOKFPUVYOIAQV-UHFFFAOYSA-N
Synonyms

2(2methylphenoxy)N(3(5nitro13dioxo13dihydro2Hisoindol2yl)phenyl)acetamide
2(2METHYLPHENOXY)N(3(5NITRO13DIOXOBENZO(C)AZOLIN2YL)PHENYL)ACETAMIDE
2(2METHYLPHENOXY)N(3(5NITRO13DIOXOISOINDOL2YL)PHENYL)ACETAMIDE
CC1=CC=CC=C1OCC(=O)NC2=CC=CC(=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)(N+)(=O)(O)
InChI=1SC23H17N3O6c114523820(14)321321(27)241564716(1115)2522(28)1810917(26(30)31)1219(18)23(25)29h212H13H21H3(H2427)
MFCD00331289
O=C(Nc1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O))COc1ccccc1C
ZINC000000754618
ZINC00754618
ZINC754618

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Available files

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