Vitas-M small molecule compound

5-[(2-methyl-4-nitrophenyl)amino]-5-oxopentanoic acid

Catalog ID
STL173193
SMILES O=C(Nc1ccc(cc1C)[N+](=O)[O-])CCCC(=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 C12H14N2O5 MW 266.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O5/c1-8-7-9(14(18)19)5-6-10(8)13-11(15)3-2-4-12(16)17/h5-7H,2-4H2,1H3,(H,13,15)(H,16,17)
InChIKey
QJTLWOPRDICLCI-UHFFFAOYSA-N
Synonyms
866821-24-1
4(N(2METHYL4NITROPHENYL)CARBAMOYL)BUTANOICACID
5((2methyl4nitrophenyl)amino)5oxopentanoicacid
5(2methyl4nitroanilino)5oxopentanoicacid
866821241
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)CCCC(=O)O
InChI=1SC12H14N2O5c1879(14(18)19)5610(8)1311(15)32412(16)17h57H24H21H3(H1315)(H1617)
MFCD06067087
O=C(Nc1ccc(cc1C)(N+)(=O)(O))CCCC(=O)O
ZINC000033421296
ZINC33421296

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Available files

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