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 1,3-benzodioxole-5-carboxylate
Catalog ID
STK067897
SMILES COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2
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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 C33H25N3O9 MW 607.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25N3O9/c1-40-28-15-21(8-11-27(28)45-33(39)23-9-12-26-30(16-23)44-19-42-26)17-34-36-32(38)24(35-31(37)22-5-3-2-4-6-22)13-20-7-10-25-29(14-20)43-18-41-25/h2-17H,18-19H2,1H3,(H,35,37)(H,36,38)/b24-13+,34-17+InChIKey
LKHKBNJNCBHEKZ-KGQWQGMPSA-NSynonyms
(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl)13benzodioxole5carboxylate
4((E)(2((2E)3(13BENZODIOXOL5YL)2((PHENYLCARBONYL)AMINO)PROP2ENOYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL13BENZODIOXOLE5CARBOXYLATE
COC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OC(=O)C5=CC6=C(C=C5)OCO6
COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2
InChI=1SC33H25N3O9c140281521(81127(28)4533(39)239122630(1623)44194226)17343632(38)24(3531(37)225324622)13207102529(1420)43184125h217H1819H21H3(H3537)(H3638)b2413+3417+
MFCD03032681
STK067897
ZINC000097958893
ZINC101466642
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.