Vitas-M small molecule compound
butyl 4-{[(2E)-2-cyano-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoyl]amino}benzoate
Catalog ID
STL016703
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1cc(OC)ccc1O)/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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-3-4-11-29-22(27)15-5-7-18(8-6-15)24-21(26)17(14-23)12-16-13-19(28-2)9-10-20(16)25/h5-10,12-13,25H,3-4,11H2,1-2H3,(H,24,26)/b17-12+InChIKey
LCWUGKPPXNVUKL-SFQUDFHCSA-NSynonyms
butyl4(((2E)2cyano3(2hydroxy5methoxyphenyl)prop2enoyl)amino)benzoate
BUTYL4(((E)2CYANO3(2HYDROXY5METHOXYPHENYL)PROP2ENOYL)AMINO)BENZOATE
BUTYL4((2E)2CYANO3(2HYDROXY5METHOXYPHENYL)PROP2ENOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)OC)O)C#N
CCCCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1cc(OC)ccc1O)C#N
InChI=1SC22H22N2O5c134112922(27)155718(8615)2421(26)17(1423)12161319(282)91020(16)25h510121325H3411H212H3(H2426)b1712+
MFCD02957193
ZINC000002670525
ZINC02670525
ZINC2670525
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