Vitas-M small molecule compound
2-chloro-5-(3-{(1Z)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK179450
SMILES CCOc1ccc(cc1)NC(=O)/C(=C\c1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)/C#N
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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 C25H22ClN3O4 MW 463.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O4/c1-4-33-21-8-5-19(6-9-21)28-24(30)18(14-27)12-17-11-15(2)29(16(17)3)20-7-10-23(26)22(13-20)25(31)32/h5-13H,4H2,1-3H3,(H,28,30)(H,31,32)/b18-12-InChIKey
LDNLSCAYMQHDFU-PDGQHHTCSA-NSynonyms
358293-69-32CHLORO5(3((1Z)2CYANO3((4ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOICACID
2chloro5(3((Z)2cyano3(4ethoxyanilino)3oxoprop1enyl)25dimethylpyrrol1yl)benzoicacid
358293693
5(3((1Z)2CYANO2(N(4ETHOXYPHENYL)CARBAMOYL)VINYL)25DIMETHYLPYRROLYL)2CHLOROBENZOICACID
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC(=C(C=C3)Cl)C(=O)O)C)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)C#N
InChI=1SC25H22ClN3O4c1433218519(6921)2824(30)18(1427)12171115(2)29(16(17)3)2071023(26)22(1320)25(31)32h513H4H213H3(H2830)(H3132)b1812
MFCD02940817
ZINC000008781197
ZINC8781197
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.