Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

Catalog ID
STK247216
SMILES Cc1ccc(cc1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)OCC(=O)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 C24H16N2O7 MW 444.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N2O7/c1-14-5-8-17(9-6-14)25-22(28)19-10-7-16(12-20(19)23(25)29)24(30)33-13-21(27)15-3-2-4-18(11-15)26(31)32/h2-12H,13H2,1H3
InChIKey
HREUITVFBQUKJS-UHFFFAOYSA-N
Synonyms

(2(3NITROPHENYL)2OXOETHYL)2(4METHYLPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
2(3NITROPHENYL)2OXOETHYL2(4METHYLPHENYL)13DIOXO23DIHYDRO1HISOINDOLE5CARBOXYLATE
2(3NITROPHENYL)2OXOETHYL2(4METHYLPHENYL)13DIOXOBENZO(C)AZOLIDINE5CARBOXYLATE
2(3NITROPHENYL)2OXOETHYL2(4METHYLPHENYL)13DIOXOISOINDOLINE5CARBOXYLATE
CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
Cc1ccc(cc1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC24H16N2O7c1145817(9614)2522(28)1910716(1220(19)23(25)29)24(30)331321(27)1532418(1115)26(31)32h212H13H21H3
MFCD01068350
ZINC000004157004
ZINC04157004
ZINC4157004

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Available files

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