Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK247532
SMILES O=C(c1cccc(c1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[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 C23H13N3O9 MW 475.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13N3O9/c27-19(13-4-1-7-16(10-13)25(31)32)12-35-23(30)14-5-2-6-15(11-14)24-21(28)17-8-3-9-18(26(33)34)20(17)22(24)29/h1-11H,12H2
InChIKey
AUDOSDRWJOKOEH-UHFFFAOYSA-N
Synonyms

(2(3NITROPHENYL)2OXOETHYL)3(4NITRO13DIOXOISOINDOL2YL)BENZOATE
2(3NITROPHENYL)2OXOETHYL3(4NITRO13DIOXO13DIHYDRO2HISOINDOL2YL)BENZOATE
C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)(N+)(=O)(O))C(=O)OCC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC23H13N3O9c2719(1341716(1013)25(31)32)123523(30)1452615(1114)2421(28)1783918(26(33)34)20(17)22(24)29h111H12H2
MFCD01068403
O=C(c1cccc(c1)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000002062994
ZINC02062994
ZINC2062994

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Available files

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