Vitas-M small molecule compound
2-(4-chlorobenzyl)-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid
Catalog ID
STK085758
SMILES O=C(CC(C(=O)O)Cc1ccc(cc1)Cl)Nc1ccc(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 C17H15ClN2O5 MW 362.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN2O5/c18-13-3-1-11(2-4-13)9-12(17(22)23)10-16(21)19-14-5-7-15(8-6-14)20(24)25/h1-8,12H,9-10H2,(H,19,21)(H,22,23)InChIKey
YKHSFKYHHLUMCK-UHFFFAOYSA-NSynonyms
2((4CHLOROPHENYL)METHYL)4(4NITROANILINO)4OXOBUTANOICACID
2(4CHLOROBENZYL)4((4NITROPHENYL)AMINO)4OXOBUTANOICACID
C1=CC(=CC=C1CC(CC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))C(=O)O)Cl
InChI=1SC17H15ClN2O5c18133111(2413)912(17(22)23)1016(21)19145715(8614)20(24)25h1812H910H2(H1921)(H2223)
MFCD02766836
O=C(CC(C(=O)O)Cc1ccc(cc1)Cl)Nc1ccc(cc1)(N+)(=O)(O)
STK085758
ZINC000004672822
ZINC000004672823
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