Vitas-M small molecule compound

2-oxo-2-phenylethyl 4-{5-[(3-nitrophenyl)carbonyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}benzoate

Catalog ID
STK372151
SMILES O=C(c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)c1cccc(c1)[N+](=O)[O-])OCC(=O)c1ccccc1

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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 C30H18N2O8 MW 534.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H18N2O8/c33-26(18-5-2-1-3-6-18)17-40-30(37)19-9-12-22(13-10-19)31-28(35)24-14-11-21(16-25(24)29(31)36)27(34)20-7-4-8-23(15-20)32(38)39/h1-16H,17H2
InChIKey
OTFMOPPKEGZQFT-UHFFFAOYSA-N
Synonyms

2oxo2phenylethyl4(5((3nitrophenyl)carbonyl)13dioxo13dihydro2Hisoindol2yl)benzoate
2OXO2PHENYLETHYL4(5((3NITROPHENYL)CARBONYL)13DIOXOBENZO(C)AZOLIN2YL)BENZOATE
2OXO2PHENYLETHYL4(5(3NITROBENZOYL)13DIOXO13DIHYDRO2HISOINDOL2YL)BENZOATE
C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC30H18N2O8c3326(185213618)174030(37)1991222(131019)3128(35)24141121(1625(24)29(31)36)27(34)2074823(1520)32(38)39h116H17H2
MFCD00594176
O=C(c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)c1cccc(c1)(N+)(=O)(O))OCC(=O)c1ccccc1
PHENACYL4(5(3NITROBENZOYL)13DIOXOISOINDOL2YL)BENZOATE
ZINC000000725906
ZINC00725906
ZINC725906

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Available files

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