Vitas-M small molecule compound
3-(4-methoxyphenyl)-3-{[(4-methyl-3-nitrophenyl)carbonyl]amino}propanoic acid
Catalog ID
STK679756
SMILES COc1ccc(cc1)C(NC(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC(=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 C18H18N2O6 MW 358.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O6/c1-11-3-4-13(9-16(11)20(24)25)18(23)19-15(10-17(21)22)12-5-7-14(26-2)8-6-12/h3-9,15H,10H2,1-2H3,(H,19,23)(H,21,22)InChIKey
LUFNQFRCYVVWIL-UHFFFAOYSA-NSynonyms
3(4methoxyphenyl)3(((4methyl3nitrophenyl)carbonyl)amino)propanoicacid
3(4METHOXYPHENYL)3((4METHYL3NITROBENZOYL)AMINO)PROPANOICACID
3(4METHOXYPHENYL)3((4METHYL3NITROPHENYL)CARBONYLAMINO)PROPANOICACID
CC1=C(C=C(C=C1)C(=O)NC(CC(=O)O)C2=CC=C(C=C2)OC)(N+)(=O)(O)
COc1ccc(cc1)C(NC(=O)c1ccc(c(c1)(N+)(=O)(O))C)CC(=O)O
InChI=1SC18H18N2O6c1113413(916(11)20(24)25)18(23)1915(1017(21)22)125714(262)8612h3915H10H212H3(H1923)(H2122)
MFCD03765959
ZINC000004580579
ZINC000004580581
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