Vitas-M small molecule compound
(2E)-3-(3-bromo-4-hydroxy-5-nitrophenyl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
Catalog ID
STK179498
SMILES CCc1ccc(cc1)NC(=O)/C(=C/c1cc(Br)c(c(c1)[N+](=O)[O-])O)/C#N
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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 C18H14BrN3O4 MW 416.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14BrN3O4/c1-2-11-3-5-14(6-4-11)21-18(24)13(10-20)7-12-8-15(19)17(23)16(9-12)22(25)26/h3-9,23H,2H2,1H3,(H,21,24)/b13-7+InChIKey
ODMJUFDGIVWRSQ-NTUHNPAUSA-NSynonyms
(2E)3(3BROMO4HYDROXY5NITROPHENYL)2CYANON(4ETHYLPHENYL)PROP2ENAMIDE
(E)3(3bromo4hydroxy5nitrophenyl)2cyanoN(4ethylphenyl)prop2enamide
CCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)O)(N+)(=O)(O))C#N
CCc1ccc(cc1)NC(=O)C(=Cc1cc(Br)c(c(c1)(N+)(=O)(O))O)C#N
InChI=1SC18H14BrN3O4c12113514(6411)2118(24)13(1020)712815(19)17(23)16(912)22(25)26h3923H2H21H3(H2124)b137+
MFCD02379559
ZINC000009948814
ZINC9948814
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