Vitas-M small molecule compound
4-[(4-chloro-2-{(1E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoic acid
Catalog ID
STK000031
SMILES N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(cc1)C
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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 C25H19ClN2O4 MW 446.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O4/c1-16-2-9-22(10-3-16)28-24(29)20(14-27)12-19-13-21(26)8-11-23(19)32-15-17-4-6-18(7-5-17)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)/b20-12+InChIKey
PWPRBSCDPNMIBW-UDWIEESQSA-NSynonyms
4((4CHLORO2((1E)2CYANO3((4METHYLPHENYL)AMINO)3OXOPROP1EN1YL)PHENOXY)METHYL)BENZOICACID
4((4CHLORO2((E)2CYANO3(4METHYLANILINO)3OXOPROP1ENYL)PHENOXY)METHYL)BENZOICACID
CC1=CC=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)Cl)OCC3=CC=C(C=C3)C(=O)O)C#N
InChI=1SC25H19ClN2O4c1162922(10316)2824(29)20(1427)12191321(26)81123(19)3215174618(7517)25(30)31h213H15H21H3(H2829)(H3031)b2012+
MFCD04126503
N#CC(=Cc1cc(Cl)ccc1OCc1ccc(cc1)C(=O)O)C(=O)Nc1ccc(cc1)C
STK000031
ZINC000012285027
ZINC12285027
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