Vitas-M small molecule compound
2-bromo-4-{(1E)-3-[(2-bromo-4-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-6-methoxyphenyl acetate
Catalog ID
STL382757
SMILES N#C/C(=C\c1cc(Br)c(c(c1)OC)OC(=O)C)/C(=O)Nc1ccc(cc1Br)[N+](=O)[O-]
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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 C19H13Br2N3O6 MW 539.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13Br2N3O6/c1-10(25)30-18-15(21)6-11(7-17(18)29-2)5-12(9-22)19(26)23-16-4-3-13(24(27)28)8-14(16)20/h3-8H,1-2H3,(H,23,26)/b12-5+InChIKey
RTKLVUFECVQKIA-LFYBBSHMSA-NSynonyms
(2BROMO4((E)3(2BROMO4NITROANILINO)2CYANO3OXOPROP1ENYL)6METHOXYPHENYL)ACETATE
2bromo4((1E)3((2bromo4nitrophenyl)amino)2cyano3oxoprop1en1yl)6methoxyphenylacetate
4((1E)2(N(2BROMO4NITROPHENYL)CARBAMOYL)2CYANOVINYL)2BROMO6METHOXYPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))Br)OC
InChI=1SC19H13Br2N3O6c110(25)301815(21)611(717(18)292)512(922)19(26)23164313(24(27)28)814(16)20h38H12H3(H2326)b125+
MFCD02731715
N#CC(=Cc1cc(Br)c(c(c1)OC)OC(=O)C)C(=O)Nc1ccc(cc1Br)(N+)(=O)(O)
ZINC000100580452
ZINC100580452
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