Vitas-M small molecule compound
4-{(1Z)-2-cyano-3-oxo-3-[(1-phenylethyl)amino]prop-1-en-1-yl}-2-ethoxyphenyl acetate
Catalog ID
STK434045
SMILES CCOc1cc(ccc1OC(=O)C)/C=C(\C(=O)NC(c1ccccc1)C)/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 C22H22N2O4 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4/c1-4-27-21-13-17(10-11-20(21)28-16(3)25)12-19(14-23)22(26)24-15(2)18-8-6-5-7-9-18/h5-13,15H,4H2,1-3H3,(H,24,26)/b19-12-InChIKey
WPQMTKIFPUMNGW-UNOMPAQXSA-NSynonyms
(4((Z)2cyano3oxo3(1phenylethylamino)prop1enyl)2ethoxyphenyl)acetate
4((1Z)2CYANO2(N(PHENYLETHYL)CARBAMOYL)VINYL)2ETHOXYPHENYLACETATE
4((1Z)2cyano3oxo3((1phenylethyl)amino)prop1en1yl)2ethoxyphenylacetate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC(C)C2=CC=CC=C2)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C=C(C(=O)NC(c1ccccc1)C)C#N
InChI=1SC22H22N2O4c1427211317(101120(21)2816(3)25)1219(1423)22(26)2415(2)188657918h51315H4H213H3(H2426)b1912
MFCD04054320
ZINC000006656548
ZINC000006656550
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