Vitas-M small molecule compound

N-(2,4-dinitrophenyl)-beta-alanine

Catalog ID
STK865673
SMILES OC(=O)CCNc1ccc(cc1[N+](=O)[O-])[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 C9H9N3O6 MW 255.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9N3O6/c13-9(14)3-4-10-7-2-1-6(11(15)16)5-8(7)12(17)18/h1-2,5,10H,3-4H2,(H,13,14)
InChIKey
XSSZEVXYIHNWQO-UHFFFAOYSA-N
Synonyms
3185-97-5
3((24DINITROPHENYL)AMINO)PROPANOICACID
3(24DINITROANILINO)PROPANOICACID
3(24DINITROPHENYLAMINO)PROPIONICACID
3185975
C1=CC(=C(C=C1(N+)(=O)(O))(N+)(=O)(O))NCCC(=O)O
DNPAALANINE
DNPALPHAALANINE
DNPBETAALANINE
InChI=1SC9H9N3O6c139(14)34107216(11(15)16)58(7)12(17)18h12510H34H2(H1314)
MFCD00038468
N(24DINITROPHENYL)AALANINE
N(24dinitrophenyl)betaalanine
OC(=O)CCNc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
ZINC000004058739
ZINC4058739

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.