Vitas-M small molecule compound

ethyl 4-{[(5-nitro-1H-imidazol-4-yl)carbonyl]amino}benzoate

Catalog ID
STL436963
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1nc[nH]c1[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 C13H12N4O5 MW 304.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O5/c1-2-22-13(19)8-3-5-9(6-4-8)16-12(18)10-11(17(20)21)15-7-14-10/h3-7H,2H2,1H3,(H,14,15)(H,16,18)
InChIKey
MDRMYWYIWMWOIX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=CN2)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)NC(=O)c1nc(nH)c1(N+)(=O)(O)
ethyl4(((5nitro1Himidazol4yl)carbonyl)amino)benzoate
ETHYL4((4NITRO1HIMIDAZOLE5CARBONYL)AMINO)BENZOATE
InChI=1SC13H12N4O5c122213(19)8359(648)1612(18)1011(17(20)21)1571410h37H2H21H3(H1415)(H1618)
MFCD06240367
ZINC000005799579
ZINC5799579

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Available files

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