Vitas-M small molecule compound

3-{[(4-methylphenyl)carbonyl]amino}-3-(3-nitrophenyl)propanoic acid

Catalog ID
STL050055
SMILES OC(=O)CC(c1cccc(c1)[N+](=O)[O-])NC(=O)c1ccc(cc1)C

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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 C17H16N2O5 MW 328.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5/c1-11-5-7-12(8-6-11)17(22)18-15(10-16(20)21)13-3-2-4-14(9-13)19(23)24/h2-9,15H,10H2,1H3,(H,18,22)(H,20,21)
InChIKey
KCKMJXVSHCOFHC-UHFFFAOYSA-N
Synonyms
640238-25-1
3(((4methylphenyl)carbonyl)amino)3(3nitrophenyl)propanoicacid
3((4METHYLBENZOYL)AMINO)3(3NITROPHENYL)PROPANOICACID
3((4METHYLPHENYL)CARBONYLAMINO)3(3NITROPHENYL)PROPANOICACID
3(4methylbenzamido)3(3nitrophenyl)propanoicacid
640238251
CC1=CC=C(C=C1)C(=O)NC(CC(=O)O)C2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC17H16N2O5c1115712(8611)17(22)1815(1016(20)21)1332414(913)19(23)24h2915H10H21H3(H1822)(H2021)
MFCD02278367
OC(=O)CC(c1cccc(c1)(N+)(=O)(O))NC(=O)c1ccc(cc1)C
ZINC000005176988
ZINC000005176992

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Available files

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