Vitas-M small molecule compound
2,4-dibromo-6-{(E)-[2-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)hydrazinylidene]methyl}phenyl 3-methylbenzoate
Catalog ID
STK671910
SMILES Brc1cc(/C=N/NC(=O)C2COc3c(O2)cccc3)c(c(c1)Br)OC(=O)c1cccc(c1)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 C24H18Br2N2O5 MW 574.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18Br2N2O5/c1-14-5-4-6-15(9-14)24(30)33-22-16(10-17(25)11-18(22)26)12-27-28-23(29)21-13-31-19-7-2-3-8-20(19)32-21/h2-12,21H,13H2,1H3,(H,28,29)/b27-12+InChIKey
KVTMKBMDPQCZPB-KKMKTNMSSA-NSynonyms
(24dibromo6((E)(23dihydro14benzodioxine3carbonylhydrazinylidene)methyl)phenyl)3methylbenzoate
24dibromo6((E)(2(23dihydro14benzodioxin2ylcarbonyl)hydrazinylidene)methyl)phenyl3methylbenzoate
Brc1cc(C=NNC(=O)C2COc3c(O2)cccc3)c(c(c1)Br)OC(=O)c1cccc(c1)C
CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2C=NNC(=O)C3COC4=CC=CC=C4O3)Br)Br
InChI=1SC24H18Br2N2O5c11454615(914)24(30)332216(1017(25)1118(22)26)12272823(29)21133119723820(19)3221h21221H13H21H3(H2829)b2712+
MFCD00821754
ZINC000003114009
ZINC000003114011
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