Vitas-M small molecule compound
4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate
Catalog ID
STK672055
SMILES COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(c1)Br
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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 C32H24BrN3O7 MW 642.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24BrN3O7/c1-40-28-16-21(11-13-27(28)43-32(39)23-8-5-9-24(33)17-23)18-34-36-31(38)25(35-30(37)22-6-3-2-4-7-22)14-20-10-12-26-29(15-20)42-19-41-26/h2-18H,19H2,1H3,(H,35,37)(H,36,38)/b25-14+,34-18+InChIKey
QXOFXRGKGPHCMQ-TUVKRCEJSA-NSynonyms
(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl)3bromobenzoate
4((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl3bromobenzoate
COC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OC(=O)C5=CC(=CC=C5)Br
COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(c1)Br
InChI=1SC32H24BrN3O7c140281621(111327(28)4332(39)2385924(33)1723)18343631(38)25(3530(37)226324722)142010122629(1520)42194126h218H19H21H3(H3537)(H3638)b2514+3418+
MFCD00822309
ZINC000150352829
ZINC150581794
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