Vitas-M small molecule compound

5-{3-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid

Catalog ID
STK192207
SMILES N#C/C(=C/c1cc(n(c1C)c1cc(cc(c1)C(=O)O)C(=O)O)C)/c1nc2c([nH]1)cccc2

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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 C24H18N4O4 MW 426.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O4/c1-13-7-15(8-18(12-25)22-26-20-5-3-4-6-21(20)27-22)14(2)28(13)19-10-16(23(29)30)9-17(11-19)24(31)32/h3-11H,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b18-8-
InChIKey
CTKZTWNBAHUHSD-LSCVHKIXSA-N
Synonyms

5(3((1Z)2BENZIMIDAZOL2YL2CYANOVINYL)25DIMETHYLPYRROLYL)BENZENE13DICARBOXYLICACID
5(3((Z)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)25DIMETHYL1HPYRROL1YL)BENZENE13DICARBOXYLICACID
5(3((Z)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)25DIMETHYL1PYRROLYL)BENZENE13DICARBOXYLICACID
5(3((Z)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)25DIMETHYLPYRROL1YL)BENZENE13DICARBOXYLICACID
5(3((Z)2(1HBENZIMIDAZOL2YL)2CYANOVINYL)25DIMETHYLPYRROL1YL)ISOPHTHALICACID
CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C(C#N)C3=NC4=CC=CC=C4N3
InChI=1SC24H18N4O4c113715(818(1225)222620534621(20)2722)14(2)28(13)191016(23(29)30)917(1119)24(31)32h311H12H3(H2627)(H2930)(H3132)b188
MFCD05041693
N#CC(=Cc1cc(n(c1C)c1cc(cc(c1)C(=O)O)C(=O)O)C)c1nc2c((nH)1)cccc2
ZINC000012362983
ZINC12362983

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Available files

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