Vitas-M small molecule compound

5-(3-{(E)-[2-(cyanoacetyl)hydrazinylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid

Catalog ID
STK198029
SMILES N#CCC(=O)N/N=C/c1cc(n(c1C)c1cc(cc(c1)C(=O)O)C(=O)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 C18H16N4O5 MW 368.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O5/c1-10-5-14(9-20-21-16(23)3-4-19)11(2)22(10)15-7-12(17(24)25)6-13(8-15)18(26)27/h5-9H,3H2,1-2H3,(H,21,23)(H,24,25)(H,26,27)/b20-9+
InChIKey
JKGJNQHQBBYQIS-AWQFTUOYSA-N
Synonyms
638993-03-0
5(3((1E)2(2CYANOACETYLAMINO)2AZAVINYL)25DIMETHYLPYRROLYL)BENZENE13DICARBOXYLICACID
5(3((E)((2cyanoacetyl)hydrazinylidene)methyl)25dimethylpyrrol1yl)benzene13dicarboxylicacid
5(3((E)(2(CYANOACETYL)HYDRAZINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZENE13DICARBOXYLICACID
638993030
CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=NNC(=O)CC#N
InChI=1SC18H16N4O5c110514(9202116(23)3419)11(2)22(10)15712(17(24)25)613(815)18(26)27h59H3H212H3(H2123)(H2425)(H2627)b209+
MFCD04308052
N#CCC(=O)NN=Cc1cc(n(c1C)c1cc(cc(c1)C(=O)O)C(=O)O)C
ZINC000004410536
ZINC33301041

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Available files

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