Vitas-M small molecule compound
4-[(E)-{2-[(4-bromophenyl)acetyl]hydrazinylidene}methyl]-2-methoxy-3-nitrophenyl acetate
Catalog ID
STK229526
SMILES COc1c(ccc(c1[N+](=O)[O-])/C=N/NC(=O)Cc1ccc(cc1)Br)OC(=O)C
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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 C18H16BrN3O6 MW 450.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN3O6/c1-11(23)28-15-8-5-13(17(22(25)26)18(15)27-2)10-20-21-16(24)9-12-3-6-14(19)7-4-12/h3-8,10H,9H2,1-2H3,(H,21,24)/b20-10+InChIKey
LEEACUDGFQUSPY-KEBDBYFISA-NSynonyms
(4((E)((2(4bromophenyl)acetyl)hydrazinylidene)methyl)2methoxy3nitrophenyl)acetate
4((E)(2((4bromophenyl)acetyl)hydrazinylidene)methyl)2methoxy3nitrophenylacetate
CC(=O)OC1=C(C(=C(C=C1)C=NNC(=O)CC2=CC=C(C=C2)Br)(N+)(=O)(O))OC
COc1c(ccc(c1(N+)(=O)(O))C=NNC(=O)Cc1ccc(cc1)Br)OC(=O)C
InChI=1SC18H16BrN3O6c111(23)28158513(17(22(25)26)18(15)272)10202116(24)9123614(19)7412h3810H9H212H3(H2124)b2010+
MFCD02910472
ZINC000008721541
ZINC33916585
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