Vitas-M small molecule compound
2-bromo-4-{(1E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenyl acetate
Catalog ID
STL382769
SMILES N#C/C(=C\c1cc(Br)c(c(c1)OC)OC(=O)C)/C(=O)Nc1ccc(cc1)[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 C19H14BrN3O6 MW 460.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrN3O6/c1-11(24)29-18-16(20)8-12(9-17(18)28-2)7-13(10-21)19(25)22-14-3-5-15(6-4-14)23(26)27/h3-9H,1-2H3,(H,22,25)/b13-7+InChIKey
ZDNRLUDDDGYKRG-NTUHNPAUSA-NSynonyms
(2BROMO4((E)2CYANO3(4NITROANILINO)3OXOPROP1ENYL)6METHOXYPHENYL)ACETATE
2bromo4((1E)2cyano3((4nitrophenyl)amino)3oxoprop1en1yl)6methoxyphenylacetate
4((1E)2CYANO2(N(4NITROPHENYL)CARBAMOYL)VINYL)2BROMO6METHOXYPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)(N+)(=O)(O))OC
InChI=1SC19H14BrN3O6c111(24)291816(20)812(917(18)282)713(1021)19(25)22143515(6414)23(26)27h39H12H3(H2225)b137+
MFCD02225180
N#CC(=Cc1cc(Br)c(c(c1)OC)OC(=O)C)C(=O)Nc1ccc(cc1)(N+)(=O)(O)
ZINC000013388052
ZINC13388052
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