Vitas-M small molecule compound

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

Catalog ID
STK247438
SMILES O=C(Nc1ccccc1C)CCC(=O)OCC(=O)c1ccc(cc1)[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 C19H18N2O6 MW 370.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O6/c1-13-4-2-3-5-16(13)20-18(23)10-11-19(24)27-12-17(22)14-6-8-15(9-7-14)21(25)26/h2-9H,10-12H2,1H3,(H,20,23)
InChIKey
MQYBGXQWLGWHPB-UHFFFAOYSA-N
Synonyms

(2(4NITROPHENYL)2OXOETHYL)4(2METHYLANILINO)4OXOBUTANOATE
2(4NITROPHENYL)2OXOETHYL4((2METHYLPHENYL)AMINO)4OXOBUTANOATE
2(4NITROPHENYL)2OXOETHYL4OXO4(2TOLUIDINO)BUTANOATE
CC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC19H18N2O6c113423516(13)2018(23)101119(24)271217(22)146815(9714)21(25)26h29H1012H21H3(H2023)
MFCD01138178
O=C(Nc1ccccc1C)CCC(=O)OCC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000002068008
ZINC02068008
ZINC2068008

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Available files

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