Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 4-[(3-nitrophenyl)amino]-4-oxobutanoate

Catalog ID
STK247273
SMILES O=C(OCC(=O)c1cccc(c1)[N+](=O)[O-])CCC(=O)Nc1cccc(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 C18H15N3O8 MW 401.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O8/c22-16(12-3-1-5-14(9-12)20(25)26)11-29-18(24)8-7-17(23)19-13-4-2-6-15(10-13)21(27)28/h1-6,9-10H,7-8,11H2,(H,19,23)
InChIKey
IOWHBACVOHNSEB-UHFFFAOYSA-N
Synonyms

(2(3NITROPHENYL)2OXOETHYL)4(3NITROANILINO)4OXOBUTANOATE
2(3NITROPHENYL)2OXOETHYL4((3NITROPHENYL)AMINO)4OXOBUTANOATE
2(3NITROPHENYL)2OXOETHYL4(3NITROANILINO)4OXOBUTANOATE
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)COC(=O)CCC(=O)NC2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC18H15N3O8c2216(1231514(912)20(25)26)112918(24)8717(23)191342615(1013)21(27)28h16910H7811H2(H1923)
MFCD01068398
O=C(OCC(=O)c1cccc(c1)(N+)(=O)(O))CCC(=O)Nc1cccc(c1)(N+)(=O)(O)
ZINC000002063012
ZINC02063012
ZINC2063012

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Available files

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