Vitas-M small molecule compound

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK269498
SMILES O=C1C2CC=CCC2C(=O)N1c1ccccc1C(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])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 C24H20N2O7 MW 448.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O7/c1-14-10-11-15(12-20(14)26(31)32)21(27)13-33-24(30)18-8-4-5-9-19(18)25-22(28)16-6-2-3-7-17(16)23(25)29/h2-5,8-12,16-17H,6-7,13H2,1H3
InChIKey
MQTOUGPJKRLEGM-UHFFFAOYSA-N
Synonyms

(2(4METHYL3NITROPHENYL)2OXOETHYL)2(13DIOXO3A477ATETRAHYDROISOINDOL2YL)BENZOATE
2(4methyl3nitrophenyl)2oxoethyl2(13dioxo133a477ahexahydro2Hisoindol2yl)benzoate
2(4METHYL3NITROPHENYL)2OXOETHYL2(13DIOXO473A7ATETRAHYDROISOINDOL2YL)BENZOATE
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N3C(=O)C4CC=CCC4C3=O)(N+)(=O)(O)
InChI=1SC24H20N2O7c114101115(1220(14)26(31)32)21(27)133324(30)18845919(18)2522(28)16623717(16)23(25)29h258121617H6713H21H3
MFCD02318450
O=C1C2CC=CCC2C(=O)N1c1ccccc1C(=O)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C
ZINC000001171219
ZINC000100744671

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Available files

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