Vitas-M small molecule compound

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

Catalog ID
STL363672
SMILES O=C(Nc1ccccc1)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 C22H20N4O5 MW 420.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5/c1-13-8-17(12-23-25-22(31)24-18-6-4-3-5-7-18)14(2)26(13)19-10-15(20(27)28)9-16(11-19)21(29)30/h3-12H,1-2H3,(H,27,28)(H,29,30)(H2,24,25,31)/b23-12+
InChIKey
OTJUXPIAEJWXIP-FSJBWODESA-N
Synonyms

(E)5(25dimethyl3((2(phenylcarbamoyl)hydrazono)methyl)1Hpyrrol1yl)isophthalicacid
5(25dimethyl3((E)(2(phenylcarbamoyl)hydrazinylidene)methyl)1Hpyrrol1yl)benzene13dicarboxylicacid
5(25DIMETHYL3((E)(PHENYLCARBAMOYLHYDRAZINYLIDENE)METHYL)PYRROL1YL)BENZENE13DICARBOXYLICACID
CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=NNC(=O)NC3=CC=CC=C3
InChI=1SC22H20N4O5c113817(12232522(31)24186435718)14(2)26(13)191015(20(27)28)916(1119)21(29)30h312H12H3(H2728)(H2930)(H2242531)b2312+
MFCD02624479
O=C(Nc1ccccc1)NN=Cc1cc(n(c1C)c1cc(cc(c1)C(=O)O)C(=O)O)C
ZINC000013800703
ZINC33330766

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Available files

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