Vitas-M small molecule compound

methyl 4-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}benzoate

Catalog ID
STK753992
SMILES COC(=O)c1ccc(cc1)OC(=O)CN1C(=O)c2c(C1=O)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 C18H12N2O8 MW 384.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N2O8/c1-27-18(24)10-5-7-11(8-6-10)28-14(21)9-19-16(22)12-3-2-4-13(20(25)26)15(12)17(19)23/h2-8H,9H2,1H3
InChIKey
CUSZBVRWWWVORN-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)OC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)(N+)(=O)(O)
COC(=O)c1ccc(cc1)OC(=O)CN1C(=O)c2c(C1=O)cccc2(N+)(=O)(O)
InChI=1SC18H12N2O8c12718(24)105711(8610)2814(21)91916(22)1232413(20(25)26)15(12)17(19)23h28H9H21H3
METHYL4(((4NITRO13DIOXO13DIHYDRO2HISOINDOL2YL)ACETYL)OXY)BENZOATE
METHYL4(2(4NITRO13DIOXOISOINDOL2YL)ACETYL)OXYBENZOATE
MFCD00824934
ZINC000001194822
ZINC01194822
ZINC1194822

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Available files

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