Vitas-M small molecule compound

5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid

Catalog ID
STK183153
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)/C(=O)Nc1cccc(c1)Br

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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 C23H17BrClN3O3 MW 498.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrClN3O3/c1-13-8-15(9-16(12-26)22(29)27-18-5-3-4-17(24)10-18)14(2)28(13)19-6-7-21(25)20(11-19)23(30)31/h3-11H,1-2H3,(H,27,29)(H,30,31)/b16-9+
InChIKey
VHYSDWPYIMZRIV-CXUHLZMHSA-N
Synonyms
359798-80-4
(E)5(3(3((3bromophenyl)amino)2cyano3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)2chlorobenzoicacid
359798804
5(3((1E)3((3BROMOPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)2CHLOROBENZOICACID
5(3((E)3(3BROMOANILINO)2CYANO3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)2CHLOROBENZOICACID
CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)C=C(C#N)C(=O)NC3=CC(=CC=C3)Br
InChI=1SC23H17BrClN3O3c113815(916(1226)22(29)271853417(24)1018)14(2)28(13)196721(25)20(1119)23(30)31h311H12H3(H2729)(H3031)b169+
MFCD02611940
N#CC(=Cc1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)C(=O)Nc1cccc(c1)Br
ZINC000002246028
ZINC2246028

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Available files

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