Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)cyclohexanecarboxylate

Catalog ID
STK275361
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1CC2CC1)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 C24H26N2O7 MW 454.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O7/c27-19(14-2-1-3-18(11-14)26(31)32)12-33-24(30)13-6-8-17(9-7-13)25-22(28)20-15-4-5-16(10-15)21(20)23(25)29/h1-3,11,13,15-17,20-21H,4-10,12H2
InChIKey
CTOIAZVXSDHRHS-UHFFFAOYSA-N
Synonyms

2(3nitrophenyl)2oxoethyl4(13dioxooctahydro2H47methanoisoindol2yl)cyclohexanecarboxylate
C1CC(CCC1C(=O)OCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))N3C(=O)C4C5CCC(C5)C4C3=O
InChI=1SC24H26N2O7c2719(1421318(1114)26(31)32)123324(30)136817(9713)2522(28)20154516(1015)21(20)23(25)29h13111315172021H41012H2
MFCD02915547
O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1CC2CC1)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000102080346
ZINC000102080356

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Available files

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