Vitas-M small molecule compound
butyl 4-{[(2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}benzoate
Catalog ID
STK949574
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(c(c1)OC)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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-3-4-11-29-22(27)16-6-8-18(9-7-16)24-21(26)17(14-23)12-15-5-10-19(25)20(13-15)28-2/h5-10,12-13,25H,3-4,11H2,1-2H3,(H,24,26)/b17-12+InChIKey
GXIUUGRENDLKTL-SFQUDFHCSA-NSynonyms
butyl4(((2E)2cyano3(4hydroxy3methoxyphenyl)prop2enoyl)amino)benzoate
BUTYL4(((E)2CYANO3(4HYDROXY3METHOXYPHENYL)PROP2ENOYL)AMINO)BENZOATE
BUTYL4((2CYANO3(4HYDROXY3METHOXYPHENYL)ACRYLOYL)AMINO)BENZOATE
BUTYL4((2E)2CYANO3(4HYDROXY3METHOXYPHENYL)PROP2ENOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)OC)C#N
CCCCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(c(c1)OC)O)C#N
InChI=1SC22H22N2O5c134112922(27)166818(9716)2421(26)17(1423)121551019(25)20(1315)282h510121325H3411H212H3(H2426)b1712+
MFCD02957160
ZINC000002669923
ZINC02669923
ZINC2669923
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