Vitas-M small molecule compound
(2E)-3-(2-chloro-5-nitrophenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Catalog ID
STK475193
SMILES N#C/C(=C\c1cc(ccc1Cl)[N+](=O)[O-])/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 C18H12ClN3O5 MW 385.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN3O5/c19-15-3-2-14(22(24)25)8-11(15)7-12(10-20)18(23)21-13-1-4-16-17(9-13)27-6-5-26-16/h1-4,7-9H,5-6H2,(H,21,23)/b12-7+InChIKey
ZZOGDJLKPLHFKU-KPKJPENVSA-NSynonyms
(2E)3(2chloro5nitrophenyl)2cyanoN(23dihydro14benzodioxin6yl)prop2enamide
(2E)N(2H3HBENZO(34E)14DIOXAN6YL)3(2CHLORO5NITROPHENYL)2CYANOPROP2ENAMIDE
(E)3(2chloro5nitrophenyl)2cyanoN(23dihydro14benzodioxin6yl)prop2enamide
C1COC2=C(O1)C=CC(=C2)NC(=O)C(=CC3=C(C=CC(=C3)(N+)(=O)(O))Cl)C#N
InChI=1SC18H12ClN3O5c19153214(22(24)25)811(15)712(1020)18(23)2113141617(913)27652616h1479H56H2(H2123)b127+
MFCD07092852
N#CC(=Cc1cc(ccc1Cl)(N+)(=O)(O))C(=O)Nc1ccc2c(c1)OCCO2
ZINC000017078755
ZINC17078755
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