Vitas-M small molecule compound
2-(3-{(1Z)-3-[(5-chloro-2-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK113943
SMILES N#C/C(=C/c1cc(n(c1C)c1ccccc1C(=O)O)C)/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 C24H20ClN3O3 MW 433.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O3/c1-14-8-9-19(25)12-21(14)27-23(29)18(13-26)11-17-10-15(2)28(16(17)3)22-7-5-4-6-20(22)24(30)31/h4-12H,1-3H3,(H,27,29)(H,30,31)/b18-11-InChIKey
VAXNSHACRVCKOQ-WQRHYEAKSA-NSynonyms
2(3((1Z)3((5CHLORO2METHYLPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOICACID
2(3((Z)3(5chloro2methylanilino)2cyano3oxoprop1enyl)25dimethylpyrrol1yl)benzoicacid
CC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC=C3C(=O)O)C)C#N
InChI=1SC24H20ClN3O3c1148919(25)1221(14)2723(29)18(1326)11171015(2)28(16(17)3)22754620(22)24(30)31h412H13H3(H2729)(H3031)b1811
MFCD05041692
N#CC(=Cc1cc(n(c1C)c1ccccc1C(=O)O)C)C(=O)Nc1cc(Cl)ccc1C
ZINC000009763656
ZINC9763656
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