Vitas-M small molecule compound
6-[(E)-(2-{[(2,6-dibromo-4-chlorophenyl)amino]acetyl}hydrazinylidene)methyl]-2,3-dimethoxybenzoic acid (non-preferred name)
Catalog ID
STK671172
SMILES COc1c(OC)ccc(c1C(=O)O)/C=N/NC(=O)CNc1c(Br)cc(cc1Br)Cl
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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 C18H16Br2ClN3O5 MW 549.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Br2ClN3O5/c1-28-13-4-3-9(15(18(26)27)17(13)29-2)7-23-24-14(25)8-22-16-11(19)5-10(21)6-12(16)20/h3-7,22H,8H2,1-2H3,(H,24,25)(H,26,27)/b23-7+InChIKey
KALIMPKKPDSQJB-HCGXMYGOSA-NSynonyms
6((E)((2(26dibromo4chloroanilino)acetyl)hydrazinylidene)methyl)23dimethoxybenzoicacid
6((E)(2(((26dibromo4chlorophenyl)amino)acetyl)hydrazinylidene)methyl)23dimethoxybenzoicacid(nonpreferredname)
COC1=C(C(=C(C=C1)C=NNC(=O)CNC2=C(C=C(C=C2Br)Cl)Br)C(=O)O)OC
COc1c(OC)ccc(c1C(=O)O)C=NNC(=O)CNc1c(Br)cc(cc1Br)Cl
InChI=1SC18H16Br2ClN3O5c12813439(15(18(26)27)17(13)292)7232414(25)8221611(19)510(21)612(16)20h3722H8H212H3(H2425)(H2627)b237+
MFCD00747355
ZINC000003091792
ZINC102775561
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