Vitas-M small molecule compound
2-bromo-4-{(1E)-3-[(2-bromo-4-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl acetate
Catalog ID
STL382755
SMILES N#C/C(=C\c1ccc(c(c1)Br)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 C18H11Br2N3O5 MW 509.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11Br2N3O5/c1-10(24)28-17-5-2-11(7-15(17)20)6-12(9-21)18(25)22-16-4-3-13(23(26)27)8-14(16)19/h2-8H,1H3,(H,22,25)/b12-6+InChIKey
FGSVEBICAUHNPJ-WUXMJOGZSA-NSynonyms
(2BROMO4((E)3(2BROMO4NITROANILINO)2CYANO3OXOPROP1ENYL)PHENYL)ACETATE
2bromo4((1E)3((2bromo4nitrophenyl)amino)2cyano3oxoprop1en1yl)phenylacetate
4((1E)2(N(2BROMO4NITROPHENYL)CARBAMOYL)2CYANOVINYL)2BROMOPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))Br)Br
InChI=1SC18H11Br2N3O5c110(24)28175211(715(17)20)612(921)18(25)22164313(23(26)27)814(16)19h28H1H3(H2225)b126+
MFCD02225176
N#CC(=Cc1ccc(c(c1)Br)OC(=O)C)C(=O)Nc1ccc(cc1Br)(N+)(=O)(O)
ZINC000013388041
ZINC13388041
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