Vitas-M small molecule compound
3-{[(2E)-3-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-2-cyanoprop-2-enoyl]amino}benzoic acid
Catalog ID
STK522688
SMILES CCOc1cc(ccc1OCc1ccccc1Cl)/C=C(/C(=O)Nc1cccc(c1)C(=O)O)\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 C26H21ClN2O5 MW 476.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O5/c1-2-33-24-13-17(10-11-23(24)34-16-19-6-3-4-9-22(19)27)12-20(15-28)25(30)29-21-8-5-7-18(14-21)26(31)32/h3-14H,2,16H2,1H3,(H,29,30)(H,31,32)/b20-12+InChIKey
SLCZMYOUPOPOIZ-UDWIEESQSA-NSynonyms
3(((2E)3(4((2chlorobenzyl)oxy)3ethoxyphenyl)2cyanoprop2enoyl)amino)benzoicacid
3(((E)3(4((2CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOICACID
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=CC=C3Cl
CCOc1cc(ccc1OCc1ccccc1Cl)C=C(C(=O)Nc1cccc(c1)C(=O)O)C#N
InChI=1SC26H21ClN2O5c1233241317(101123(24)341619634922(19)27)1220(1528)25(30)292185718(1421)26(31)32h314H216H21H3(H2930)(H3132)b2012+
MFCD03154954
ZINC000001438743
ZINC1438743
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