Vitas-M small molecule compound

2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 3-nitrobenzoate

Catalog ID
STK275042
SMILES CC1C=CCC2C1C(=O)N(C2=O)c1ccccc1OC(=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 C22H18N2O6 MW 406.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O6/c1-13-6-4-9-16-19(13)21(26)23(20(16)25)17-10-2-3-11-18(17)30-22(27)14-7-5-8-15(12-14)24(28)29/h2-8,10-13,16,19H,9H2,1H3
InChIKey
IFNQRPOBVCDZRH-UHFFFAOYSA-N
Synonyms

(2(4METHYL13DIOXO3A477ATETRAHYDROISOINDOL2YL)PHENYL)3NITROBENZOATE
2((3AS4S7AR)4METHYL13DIOXO133A477AHEXAHYDRO2HISOINDOL2YL)PHENYL3NITROBENZOATE
2(4methyl13dioxo133a477ahexahydro2Hisoindol2yl)phenyl3nitrobenzoate
CC1C=CCC2C1C(=O)N(C2=O)c1ccccc1OC(=O)c1cccc(c1)(N+)(=O)(O)
CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC22H18N2O6c1136491619(13)21(26)23(20(16)25)1710231118(17)3022(27)1475815(1214)24(28)29h2810131619H9H21H3
MFCD03186608
ZINC000017987617
ZINC000239310135

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Available files

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