Vitas-M small molecule compound

butyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate

Catalog ID
STK359161
SMILES CCCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)[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 C25H20N2O7 MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O7/c1-2-3-14-33-25(30)16-4-6-17(7-5-16)26-23(28)21-13-12-20(15-22(21)24(26)29)34-19-10-8-18(9-11-19)27(31)32/h4-13,15H,2-3,14H2,1H3
InChIKey
NYZYAIUHEANUMV-UHFFFAOYSA-N
Synonyms

butyl4(5(4nitrophenoxy)13dioxo13dihydro2Hisoindol2yl)benzoate
butyl4(5(4nitrophenoxy)13dioxoisoindol2yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)(N+)(=O)(O)
CCCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H20N2O7c123143325(30)164617(7516)2623(28)21131220(1522(21)24(26)29)341910818(91119)27(31)32h41315H2314H21H3
MFCD02614385
ZINC000020095931
ZINC20095931

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Available files

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