Vitas-M small molecule compound
3-{[(2E)-3-{3-[(2-chlorobenzyl)oxy]-4-methoxyphenyl}-2-cyanoprop-2-enoyl]amino}benzoic acid
Catalog ID
STK522689
SMILES N#C/C(=C\c1ccc(c(c1)OCc1ccccc1Cl)OC)/C(=O)Nc1cccc(c1)C(=O)O
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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 C25H19ClN2O5 MW 462.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O5/c1-32-22-10-9-16(12-23(22)33-15-18-5-2-3-8-21(18)26)11-19(14-27)24(29)28-20-7-4-6-17(13-20)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)/b19-11+InChIKey
UQSVROZCRRJPSU-YBFXNURJSA-NSynonyms
3(((2E)3(3((2chlorobenzyl)oxy)4methoxyphenyl)2cyanoprop2enoyl)amino)benzoicacid
3(((E)3(3((2CHLOROPHENYL)METHOXY)4METHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOICACID
COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=CC=C3Cl
InChI=1SC25H19ClN2O5c1322210916(1223(22)331518523821(18)26)1119(1427)24(29)282074617(1320)25(30)31h213H15H21H3(H2829)(H3031)b1911+
MFCD03155045
N#CC(=Cc1ccc(c(c1)OCc1ccccc1Cl)OC)C(=O)Nc1cccc(c1)C(=O)O
ZINC000001438745
ZINC1438745
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