Vitas-M small molecule compound
3-(2-{(1E)-3-[(5-chloro-2-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK106930
SMILES N#C/C(=C\c1cccn1c1cccc(c1)C(=O)O)/C(=O)Nc1cc(Cl)ccc1C
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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 C22H16ClN3O3 MW 405.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O3/c1-14-7-8-17(23)12-20(14)25-21(27)16(13-24)11-19-6-3-9-26(19)18-5-2-4-15(10-18)22(28)29/h2-12H,1H3,(H,25,27)(H,28,29)/b16-11+InChIKey
COSCQQJXVLJZKS-LFIBNONCSA-NSynonyms
3(2((1E)3((5CHLORO2METHYLPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)1HPYRROL1YL)BENZOICACID
3(2((E)3(5CHLORO2METHYLANILINO)2CYANO3OXOPROP1ENYL)PYRROL1YL)BENZOICACID
CC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)O)C#N
InChI=1SC22H16ClN3O3c1147817(23)1220(14)2521(27)16(1324)111963926(19)1852415(1018)22(28)29h212H1H3(H2527)(H2829)b1611+
MFCD04127013
N#CC(=Cc1cccn1c1cccc(c1)C(=O)O)C(=O)Nc1cc(Cl)ccc1C
ZINC000004674967
ZINC4674967
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