Vitas-M small molecule compound

bis[2-(3-nitrophenyl)-2-oxoethyl] 1,2,2-trimethylcyclopentane-1,3-dicarboxylate

Catalog ID
STK388965
SMILES O=C(c1cccc(c1)[N+](=O)[O-])COC(=O)C1CCC(C1(C)C)(C)C(=O)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 C26H26N2O10 MW 526.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O10/c1-25(2)20(23(31)37-14-21(29)16-6-4-8-18(12-16)27(33)34)10-11-26(25,3)24(32)38-15-22(30)17-7-5-9-19(13-17)28(35)36/h4-9,12-13,20H,10-11,14-15H2,1-3H3
InChIKey
GKIYPLFGLXZJAC-UHFFFAOYSA-N
Synonyms
331277-29-3
331277293
bis(2(3nitrophenyl)2oxoethyl)122trimethylcyclopentane13dicarboxylate
CC1(C(CCC1(C)C(=O)OCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OCC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C
InChI=1SC26H26N2O10c125(2)20(23(31)371421(29)1664818(1216)27(33)34)101126(253)24(32)381522(30)1775919(1317)28(35)36h49121320H10111415H213H3
MFCD00619664
O=C(c1cccc(c1)(N+)(=O)(O))COC(=O)C1CCC(C1(C)C)(C)C(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000004109241
ZINC000004109248

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Available files

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