Vitas-M small molecule compound

cyclohexyl 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

Catalog ID
STK247210
SMILES O=C1c2cc(ccc2C(=O)N1c1cccc(c1)[N+](=O)[O-])C(=O)OC1CCCCC1

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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/c24-19-17-10-9-13(21(26)29-16-7-2-1-3-8-16)11-18(17)20(25)22(19)14-5-4-6-15(12-14)23(27)28/h4-6,9-12,16H,1-3,7-8H2
InChIKey
UHKQJNJPWAAHQT-UHFFFAOYSA-N
Synonyms

C1CCC(CC1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)(N+)(=O)(O)
CYCLOHEXYL2(3NITROPHENYL)13DIOXO23DIHYDRO1HISOINDOLE5CARBOXYLATE
CYCLOHEXYL2(3NITROPHENYL)13DIOXO5ISOINDOLINECARBOXYLATE
CYCLOHEXYL2(3NITROPHENYL)13DIOXOBENZO(C)AZOLIDINE5CARBOXYLATE
CYCLOHEXYL2(3NITROPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
InChI=1SC21H18N2O6c24191710913(21(26)29167213816)1118(17)20(25)22(19)1454615(1214)23(27)28h4691216H1378H2
MFCD01062860
O=C1c2cc(ccc2C(=O)N1c1cccc(c1)(N+)(=O)(O))C(=O)OC1CCCCC1
ZINC000000990314
ZINC00990314
ZINC990314

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.