Vitas-M small molecule compound

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

Catalog ID
STK359170
SMILES O=C(c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])Oc1ccc(c(c1)C)C

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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 C23H16N2O6 MW 416.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N2O6/c1-13-6-11-17(12-14(13)2)31-23(28)15-7-9-16(10-8-15)24-21(26)18-4-3-5-19(25(29)30)20(18)22(24)27/h3-12H,1-2H3
InChIKey
DVSPXUTZOUAMSC-UHFFFAOYSA-N
Synonyms

(34DIMETHYLPHENYL)4(4NITRO13DIOXOISOINDOL2YL)BENZOATE
34dimethylphenyl4(4nitro13dioxo13dihydro2Hisoindol2yl)benzoate
CC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)(N+)(=O)(O))C
InChI=1SC23H16N2O6c11361117(1214(13)2)3123(28)157916(10815)2421(26)1843519(25(29)30)20(18)22(24)27h312H12H3
MFCD00596255
O=C(c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))Oc1ccc(c(c1)C)C
ZINC000003197116
ZINC03197116
ZINC3197116

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Available files

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