Vitas-M small molecule compound
methyl 4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]benzoate
Catalog ID
STK150811
SMILES COC(=O)c1ccc(cc1)/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 C26H21N3O6 MW 471.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O6/c1-33-26(32)20-10-7-17(8-11-20)15-27-29-25(31)21(28-24(30)19-5-3-2-4-6-19)13-18-9-12-22-23(14-18)35-16-34-22/h2-15H,16H2,1H3,(H,28,30)(H,29,31)/b21-13+,27-15+InChIKey
XLEUBCPDCLWDKO-ZAARJVOSSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4
COC(=O)c1ccc(cc1)C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
InChI=1SC26H21N3O6c13326(32)2010717(81120)15272925(31)21(2824(30)195324619)13189122223(1418)35163422h215H16H21H3(H2830)(H2931)b2113+2715+
methyl4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)benzoate
METHYL4((E)(2((2E)3(13BENZODIOXOL5YL)2((PHENYLCARBONYL)AMINO)PROP2ENOYL)HYDRAZINYLIDENE)METHYL)BENZOATE
MFCD00322711
ZINC000013880685
ZINC33850565
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