Vitas-M small molecule compound
methyl 2-({(1Z)-2-cyano-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}amino)-4,5-dimethoxybenzoate
Catalog ID
STK715975
SMILES N#C/C(=C/Nc1cc(OC)c(cc1C(=O)OC)OC)/C(=O)NCCc1ccccc1
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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 C22H23N3O5 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5/c1-28-19-11-17(22(27)30-3)18(12-20(19)29-2)25-14-16(13-23)21(26)24-10-9-15-7-5-4-6-8-15/h4-8,11-12,14,25H,9-10H2,1-3H3,(H,24,26)/b16-14-InChIKey
IIJMDZXXQIARRG-PEZBUJJGSA-NSynonyms
(E)methyl2((2cyano3oxo3(phenethylamino)prop1en1yl)amino)45dimethoxybenzoate
COC1=C(C=C(C(=C1)C(=O)OC)NC=C(C#N)C(=O)NCCC2=CC=CC=C2)OC
InChI=1SC22H23N3O5c128191117(22(27)303)18(1220(19)292)251416(1323)21(26)24109157546815h4811121425H910H213H3(H2426)b1614
methyl2(((1Z)2cyano3oxo3((2phenylethyl)amino)prop1en1yl)amino)45dimethoxybenzoate
methyl2(((Z)2cyano3oxo3(2phenylethylamino)prop1enyl)amino)45dimethoxybenzoate
MFCD08166868
N#CC(=CNc1cc(OC)c(cc1C(=O)OC)OC)C(=O)NCCc1ccccc1
ZINC000102673266
ZINC102673266
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