Vitas-M small molecule compound
4-[(E)-{2-[(4-bromophenyl)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate
Catalog ID
STK229510
SMILES COc1cc(/C=N/NC(=O)Cc2ccc(cc2)Br)ccc1OC(=O)c1ccc(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 C23H18BrN3O6 MW 512.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3O6/c1-32-21-12-16(14-25-26-22(28)13-15-2-7-18(24)8-3-15)4-11-20(21)33-23(29)17-5-9-19(10-6-17)27(30)31/h2-12,14H,13H2,1H3,(H,26,28)/b25-14+InChIKey
UQTCENCVHIMQLH-AFUMVMLFSA-NSynonyms
(4((E)((2(4bromophenyl)acetyl)hydrazinylidene)methyl)2methoxyphenyl)4nitrobenzoate
4((E)(2((4bromophenyl)acetyl)hydrazinylidene)methyl)2methoxyphenyl4nitrobenzoate
COC1=C(C=CC(=C1)C=NNC(=O)CC2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(C=NNC(=O)Cc2ccc(cc2)Br)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H18BrN3O6c132211216(14252622(28)13152718(24)8315)41120(21)3323(29)175919(10617)27(30)31h21214H13H21H3(H2628)b2514+
MFCD02910455
ZINC000009289381
ZINC96912378
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