Vitas-M small molecule compound
3-[1-(2-carboxyethyl)-1H-imidazol-3-ium-3-yl]propanoate
Catalog ID
STL328627
SMILES [O-]C(=O)CC[n+]1ccn(c1)CCC(=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 C9H12N2O4 MW 212.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H12N2O4/c12-8(13)1-3-10-5-6-11(7-10)4-2-9(14)15/h5-7H,1-4H2,(H-,12,13,14,15)InChIKey
MDQQSNCBEFHICL-UHFFFAOYSA-NSynonyms
28113-96-4(O)C(=O)CC(n+)1ccn(c1)CCC(=O)O
1HIMIDAZOLIUM13BIS(2CARBOXYETHYL)INNERSALT
28113964
3(1(2carboxyethyl)1Himidazol3ium3yl)propanoate
3(3(2carboxyethyl)imidazol1ium1yl)propanoate
3(3(2CARBOXYETHYL)IMIDAZOL3IUM1YL)PROPANOATE
C1=C(N+)(=CN1CCC(=O)O)CCC(=O)(O)
InChI=1SC9H12N2O4c128(13)13105611(710)429(14)15h57H14H2(H12131415)
MFCD02234362
ZINC000004834735
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