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-methoxybenzoate
Catalog ID
STK672052
SMILES COc1cccc(c1)C(=O)Oc1ccc(cc1OC)/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=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 C33H27N3O8 MW 593.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N3O8/c1-40-25-10-6-9-24(18-25)33(39)44-28-14-12-22(17-29(28)41-2)19-34-36-32(38)26(35-31(37)23-7-4-3-5-8-23)15-21-11-13-27-30(16-21)43-20-42-27/h3-19H,20H2,1-2H3,(H,35,37)(H,36,38)/b26-15+,34-19+InChIKey
GGNZETTZDGVKAX-RFIBEIAZSA-NSynonyms
(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl)3methoxybenzoate
4((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl3methoxybenzoate
COC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C(=CC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CC=C5)OC
COc1cccc(c1)C(=O)Oc1ccc(cc1OC)C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
InChI=1SC33H27N3O8c14025106924(1825)33(39)4428141222(1729(28)412)19343632(38)26(3531(37)237435823)152111132730(1621)43204227h319H20H212H3(H3537)(H3638)b2615+3419+
MFCD00822295
ZINC000100047208
ZINC102776962
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