Vitas-M small molecule compound

3-(acetylamino)-3-(4-nitrophenyl)propanoic acid

Catalog ID
STK792613
SMILES OC(=O)CC(c1ccc(cc1)[N+](=O)[O-])NC(=O)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 C11H12N2O5 MW 252.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12N2O5/c1-7(14)12-10(6-11(15)16)8-2-4-9(5-3-8)13(17)18/h2-5,10H,6H2,1H3,(H,12,14)(H,15,16)
InChIKey
IGXJPNSMMOYCOC-UHFFFAOYSA-N
Synonyms
100061-23-2
100061232
3(acetylamino)3(4nitrophenyl)propanoicacid
3(ACETYLAMINO)3(4NITROPHENYL)PROPIONICACID
3ACETAMIDO3(4NITROPHENYL)PROPANOICACID
3ACETYLAMINO3(4NITROPHENYL)PROPIONICACID
BENZENEPROPANOICACIDB(ACETYLAMINO)4NITRO
CC(=O)NC(CC(=O)O)C1=CC=C(C=C1)(N+)(=O)(O)
InChI=1SC11H12N2O5c17(14)1210(611(15)16)8249(538)13(17)18h2510H6H21H3(H1214)(H1516)
MFCD00508188
OC(=O)CC(c1ccc(cc1)(N+)(=O)(O))NC(=O)C
ZINC000000112630
ZINC000000112632

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Available files

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