Vitas-M small molecule compound
3-{(1E)-2-cyano-3-oxo-3-[(1-phenylethyl)amino]prop-1-en-1-yl}phenyl 4-chlorobenzoate
Catalog ID
STK473306
SMILES N#C/C(=C\c1cccc(c1)OC(=O)c1ccc(cc1)Cl)/C(=O)NC(c1ccccc1)C
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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 C25H19ClN2O3 MW 430.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O3/c1-17(19-7-3-2-4-8-19)28-24(29)21(16-27)14-18-6-5-9-23(15-18)31-25(30)20-10-12-22(26)13-11-20/h2-15,17H,1H3,(H,28,29)/b21-14+InChIKey
MUOLMXSAKOKFLH-KGENOOAVSA-NSynonyms
(3((E)2cyano3oxo3(1phenylethylamino)prop1enyl)phenyl)4chlorobenzoate
3((1E)2CYANO2(N(PHENYLETHYL)CARBAMOYL)VINYL)PHENYL4CHLOROBENZOATE
3((1E)2cyano3oxo3((1phenylethyl)amino)prop1en1yl)phenyl4chlorobenzoate
CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl)C#N
InChI=1SC25H19ClN2O3c117(197324819)2824(29)21(1627)141865923(1518)3125(30)20101222(26)131120h21517H1H3(H2829)b2114+
MFCD07090255
N#CC(=Cc1cccc(c1)OC(=O)c1ccc(cc1)Cl)C(=O)NC(c1ccccc1)C
ZINC000017097224
ZINC000017097225
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