Vitas-M small molecule compound
(2E)-3-(5-bromo-2-methoxyphenyl)-N-(4-chloro-2-nitrophenyl)-2-cyanoprop-2-enamide
Catalog ID
STL383536
SMILES N#C/C(=C\c1cc(Br)ccc1OC)/C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl
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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 C17H11BrClN3O4 MW 436.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11BrClN3O4/c1-26-16-5-2-12(18)7-10(16)6-11(9-20)17(23)21-14-4-3-13(19)8-15(14)22(24)25/h2-8H,1H3,(H,21,23)/b11-6+InChIKey
IWNLWDNLQOKILT-IZZDOVSWSA-NSynonyms
(2E)3(5bromo2methoxyphenyl)N(4chloro2nitrophenyl)2cyanoprop2enamide
(E)3(5BROMO2METHOXYPHENYL)N(4CHLORO2NITROPHENYL)2CYANOPROP2ENAMIDE
3(5BROMO2METHOXYPHENYL)N(4CHLORO2NITROPHENYL)2CYANOACRYLAMIDE
COC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)(N+)(=O)(O)
InChI=1SC17H11BrClN3O4c126165212(18)710(16)611(920)17(23)21144313(19)815(14)22(24)25h28H1H3(H2123)b116+
MFCD02731647
N#CC(=Cc1cc(Br)ccc1OC)C(=O)Nc1ccc(cc1(N+)(=O)(O))Cl
ZINC000009057386
ZINC09057386
ZINC9057386
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