Vitas-M small molecule compound
2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid
Catalog ID
STK262333
SMILES OC(=O)c1cc(ccc1NCCc1c[nH]cn1)[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 C12H12N4O4 MW 276.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N4O4/c17-12(18)10-5-9(16(19)20)1-2-11(10)14-4-3-8-6-13-7-15-8/h1-2,5-7,14H,3-4H2,(H,13,15)(H,17,18)InChIKey
UPIZWJWISGSJLO-UHFFFAOYSA-NSynonyms
2((2(1Himidazol4yl)ethyl)amino)5nitrobenzoicacid
2((2IMIDAZOL4YLETHYL)AMINO)5NITROBENZOICACID
2(2(1HIMIDAZOL5YL)ETHYLAMINO)5NITROBENZOICACID
C1=CC(=C(C=C1(N+)(=O)(O))C(=O)O)NCCC2=CN=CN2
InChI=1SC12H12N4O4c1712(18)1059(16(19)20)1211(10)144386137158h125714H34H2(H1315)(H1718)
MFCD08445334
OC(=O)c1cc(ccc1NCCc1c(nH)cn1)(N+)(=O)(O)
ZINC000019938812
ZINC19938812
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