Vitas-M small molecule compound
2-bromo-4-{(1E)-3-[(4-chloro-2-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-6-ethoxyphenyl acetate
Catalog ID
STL382735
SMILES CCOc1cc(/C=C(/C(=O)Nc2ccc(cc2[N+](=O)[O-])Cl)\C#N)cc(c1OC(=O)C)Br
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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 C20H15BrClN3O6 MW 508.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrClN3O6/c1-3-30-18-8-12(7-15(21)19(18)31-11(2)26)6-13(10-23)20(27)24-16-5-4-14(22)9-17(16)25(28)29/h4-9H,3H2,1-2H3,(H,24,27)/b13-6+InChIKey
USCINMLJDXCQNI-AWNIVKPZSA-NSynonyms
(2BROMO4((E)3(4CHLORO2NITROANILINO)2CYANO3OXOPROP1ENYL)6ETHOXYPHENYL)ACETATE
2bromo4((1E)3((4chloro2nitrophenyl)amino)2cyano3oxoprop1en1yl)6ethoxyphenylacetate
4((1E)2(N(4CHLORO2NITROPHENYL)CARBAMOYL)2CYANOVINYL)2BROMO6ETHOXYPHENYLACETATE
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)(N+)(=O)(O))Br)OC(=O)C
CCOc1cc(C=C(C(=O)Nc2ccc(cc2(N+)(=O)(O))Cl)C#N)cc(c1OC(=O)C)Br
InChI=1SC20H15BrClN3O6c133018812(715(21)19(18)3111(2)26)613(1023)20(27)24165414(22)917(16)25(28)29h49H3H212H3(H2427)b136+
MFCD02225149
ZINC000013387995
ZINC13387995
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