Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxo-5-phenyloctahydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK290646
SMILES O=C(c1cccc(c1)N1C(=O)C2C(C1=O)CC(CC2)c1ccccc1)OCC(=O)c1cccc(c1)[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 C29H24N2O7 MW 512.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O7/c32-26(20-8-4-11-23(14-20)31(36)37)17-38-29(35)21-9-5-10-22(15-21)30-27(33)24-13-12-19(16-25(24)28(30)34)18-6-2-1-3-7-18/h1-11,14-15,19,24-25H,12-13,16-17H2
InChIKey
WFVIEGWPYBXRJF-UHFFFAOYSA-N
Synonyms

(2(3nitrophenyl)2oxoethyl)3(13dioxo5phenyl3a45677ahexahydroisoindol2yl)benzoate
2(3nitrophenyl)2oxoethyl3(13dioxo5phenyloctahydro2Hisoindol2yl)benzoate
C1CC2C(CC1C3=CC=CC=C3)C(=O)N(C2=O)C4=CC=CC(=C4)C(=O)OCC(=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC29H24N2O7c3226(20841123(1420)31(36)37)173829(35)21951022(1521)3027(33)24131219(1625(24)28(30)34)186213718h1111415192425H12131617H2
MFCD06194689
O=C(c1cccc(c1)N1C(=O)C2C(C1=O)CC(CC2)c1ccccc1)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000100398233
ZINC000226404903

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Available files

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