Vitas-M small molecule compound

4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 3-nitrobenzoate

Catalog ID
STK268856
SMILES O=C1N(c2ccc(cc2)OC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)C2C1CCCC2

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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 C21H18N2O6 MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6/c24-19-17-6-1-2-7-18(17)20(25)22(19)14-8-10-16(11-9-14)29-21(26)13-4-3-5-15(12-13)23(27)28/h3-5,8-12,17-18H,1-2,6-7H2
InChIKey
FOKCWSHBXXVJLD-UHFFFAOYSA-N
Synonyms

(4(13dioxo3a45677ahexahydroisoindol2yl)phenyl)3nitrobenzoate
4((3AR7AR)13DIOXOOCTAHYDRO2HISOINDOL2YL)PHENYL3NITROBENZOATE
4((3AR7AS)13DIOXOOCTAHYDRO2HISOINDOL2YL)PHENYL3NITROBENZOATE
4(13dioxooctahydro2Hisoindol2yl)phenyl3nitrobenzoate
C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H18N2O6c241917612718(17)20(25)22(19)1481016(11914)2921(26)1343515(1213)23(27)28h358121718H1267H2
MFCD01363062
O=C1N(c2ccc(cc2)OC(=O)c2cccc(c2)(N+)(=O)(O))C(=O)C2C1CCCC2
ZINC000017976107
ZINC000101319825

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Available files

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