Vitas-M small molecule compound
2-[(E)-(2-{(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-4,6-dibromophenyl benzoate
Catalog ID
STK671069
SMILES Brc1cc(/C=N/NC(=O)/C(=C/c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)c(c(c1)Br)OC(=O)c1ccccc1
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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 C31H21Br2N3O6 MW 691.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H21Br2N3O6/c32-23-15-22(28(24(33)16-23)42-31(39)21-9-5-2-6-10-21)17-34-36-30(38)25(35-29(37)20-7-3-1-4-8-20)13-19-11-12-26-27(14-19)41-18-40-26/h1-17H,18H2,(H,35,37)(H,36,38)/b25-13-,34-17+InChIKey
DBGSJDWPYBTDJP-LLTUROSHSA-NSynonyms
(2((E)(((Z)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)46dibromophenyl)benzoate
2((E)(2((2Z)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)46dibromophenylbenzoate
Brc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(c(c1)Br)OC(=O)c1ccccc1
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NN=CC3=CC(=CC(=C3OC(=O)C4=CC=CC=C4)Br)Br)NC(=O)C5=CC=CC=C5
InChI=1SC31H21Br2N3O6c32231522(28(24(33)1623)4231(39)2195261021)17343630(38)25(3529(37)207314820)131911122627(1419)41184026h117H18H2(H3537)(H3638)b25133417+
MFCD00747173
ZINC000150351333
ZINC150636622
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