Vitas-M small molecule compound
(2E)-3-[5-chloro-2-(2-methylpropoxy)phenyl]-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Catalog ID
STK472898
SMILES N#C/C(=C\c1cc(Cl)ccc1OCC(C)C)/C(=O)Nc1ccc2c(c1)OCCO2
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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 C22H21ClN2O4 MW 412.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O4/c1-14(2)13-29-19-5-3-17(23)10-15(19)9-16(12-24)22(26)25-18-4-6-20-21(11-18)28-8-7-27-20/h3-6,9-11,14H,7-8,13H2,1-2H3,(H,25,26)/b16-9+InChIKey
PXWBAKRZFDMIAK-CXUHLZMHSA-NSynonyms
(2E)3(5chloro2(2methylpropoxy)phenyl)2cyanoN(23dihydro14benzodioxin6yl)prop2enamide
(2E)N(2H3HBENZO(34E)14DIOXAN6YL)3(5CHLORO2(2METHYLPROPOXY)PHENYL)2CYANOPROP2ENAMIDE
(E)3(5chloro2(2methylpropoxy)phenyl)2cyanoN(23dihydro14benzodioxin6yl)prop2enamide
CC(C)COC1=C(C=C(C=C1)Cl)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3
InChI=1SC22H21ClN2O4c114(2)1329195317(23)1015(19)916(1224)22(26)2518462021(1118)28872720h3691114H7813H212H3(H2526)b169+
MFCD07092815
N#CC(=Cc1cc(Cl)ccc1OCC(C)C)C(=O)Nc1ccc2c(c1)OCCO2
ZINC000017089396
ZINC17089396
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