Vitas-M small molecule compound
(2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-cyanoprop-2-enamide
Catalog ID
STK473686
SMILES N#C/C(=C\c1ccc(cc1)OCc1c(F)cccc1Cl)/C(=O)NCc1ccc2c(c1)OCO2
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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 C25H18ClFN2O4 MW 464.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClFN2O4/c26-21-2-1-3-22(27)20(21)14-31-19-7-4-16(5-8-19)10-18(12-28)25(30)29-13-17-6-9-23-24(11-17)33-15-32-23/h1-11H,13-15H2,(H,29,30)/b18-10+InChIKey
SNKPTXOFNKUBMN-VCHYOVAHSA-NSynonyms
(2E)N(13benzodioxol5ylmethyl)3(4((2chloro6fluorobenzyl)oxy)phenyl)2cyanoprop2enamide
(2E)N(2HBENZO(34D)13DIOXOLAN5YLMETHYL)3(4((2CHLORO6FLUOROPHENYL)METHOXY)PHENYL)2CYANOPROP2ENAMIDE
(E)N(13benzodioxol5ylmethyl)3(4((2chloro6fluorophenyl)methoxy)phenyl)2cyanoprop2enamide
C1OC2=C(O1)C=C(C=C2)CNC(=O)C(=CC3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)F)C#N
InChI=1SC25H18ClFN2O4c262121322(27)20(21)1431197416(5819)1018(1228)25(30)291317692324(1117)33153223h111H1315H2(H2930)b1810+
MFCD06189362
N#CC(=Cc1ccc(cc1)OCc1c(F)cccc1Cl)C(=O)NCc1ccc2c(c1)OCO2
ZINC000020428983
ZINC20428983
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