Vitas-M small molecule compound
4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-ethoxyphenyl benzoate
Catalog ID
STK514045
SMILES CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OC(=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 C33H27N3O7 MW 577.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N3O7/c1-2-40-30-19-23(14-16-28(30)43-33(39)25-11-7-4-8-12-25)20-34-36-32(38)26(35-31(37)24-9-5-3-6-10-24)17-22-13-15-27-29(18-22)42-21-41-27/h3-20H,2,21H2,1H3,(H,35,37)(H,36,38)/b26-17+,34-20+InChIKey
RCKILKRRZOGFMU-KFKYPYBPSA-NSynonyms
(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)2ethoxyphenyl)benzoate
4((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)2ethoxyphenylbenzoate
CCOC1=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
CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1
InChI=1SC33H27N3O7c1240301923(141628(30)4333(39)25117481225)20343632(38)26(3531(37)2495361024)172213152729(1822)42214127h320H221H21H3(H3537)(H3638)b2617+3420+
MFCD13370552
ZINC000060095617
ZINC102387643
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