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 acetate
Catalog ID
STK513862
SMILES COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OC(=O)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 C27H23N3O7 MW 501.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O7/c1-17(31)37-23-11-9-19(14-24(23)34-2)15-28-30-27(33)21(29-26(32)20-6-4-3-5-7-20)12-18-8-10-22-25(13-18)36-16-35-22/h3-15H,16H2,1-2H3,(H,29,32)(H,30,33)/b21-12+,28-15+InChIKey
LODWNJJETJMPPH-GKYGGESFSA-NSynonyms
(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl)acetate
4((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OC
COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)C
InChI=1SC27H23N3O7c117(31)372311919(1424(23)342)15283027(33)21(2926(32)206435720)12188102225(1318)36163522h315H16H212H3(H2932)(H3033)b2112+2815+
MFCD00822165
ZINC000012364630
ZINC33710849
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