Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 2-{[(3,4-dimethylphenoxy)acetyl]amino}benzoate

Catalog ID
STK252461
SMILES O=C(Nc1ccccc1C(=O)OCC(=O)c1cccc(c1)[N+](=O)[O-])COc1ccc(c(c1)C)C

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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 C25H22N2O7 MW 462.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O7/c1-16-10-11-20(12-17(16)2)33-15-24(29)26-22-9-4-3-8-21(22)25(30)34-14-23(28)18-6-5-7-19(13-18)27(31)32/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKey
KBBAIXODIQFPOQ-UHFFFAOYSA-N
Synonyms

(2(3NITROPHENYL)2OXOETHYL)2((2(34DIMETHYLPHENOXY)ACETYL)AMINO)BENZOATE
2(3NITROPHENYL)2OXOETHYL2(((34DIMETHYLPHENOXY)ACETYL)AMINO)BENZOATE
CC1=C(C=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C
InChI=1SC25H22N2O7c116101120(1217(16)2)331524(29)2622943821(22)25(30)341423(28)1865719(1318)27(31)32h313H1415H212H3(H2629)
MFCD01616581
O=C(Nc1ccccc1C(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O))COc1ccc(c(c1)C)C
ZINC000000990730
ZINC00990730
ZINC990730

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Available files

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