Vitas-M small molecule compound

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

Catalog ID
STK668867
SMILES CCCCCCCCOC(=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 C29H28N2O7 MW 516.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O7/c1-2-3-4-5-6-7-18-37-29(34)20-8-10-21(11-9-20)30-27(32)25-17-16-24(19-26(25)28(30)33)38-23-14-12-22(13-15-23)31(35)36/h8-17,19H,2-7,18H2,1H3
InChIKey
UKSHIOFZRHKWLZ-UHFFFAOYSA-N
Synonyms

CCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)(N+)(=O)(O)
CCCCCCCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)(N+)(=O)(O)
InChI=1SC29H28N2O7c1234567183729(34)2081021(11920)3027(32)25171624(1926(25)28(30)33)3823141222(131523)31(35)36h81719H2718H21H3
MFCD00632565
octyl4(5(4nitrophenoxy)13dioxo13dihydro2Hisoindol2yl)benzoate
OCTYL4(5(4NITROPHENOXY)13DIOXOISOINDOL2YL)BENZOATE
ZINC000097997864
ZINC97997864

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Available files

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