Vitas-M small molecule compound

2-bromo-4-[(E)-{2-[(2,6-dimethylphenoxy)acetyl]hydrazinylidene}methyl]-6-methoxyphenyl 4-methylbenzoate

Catalog ID
STK006473
SMILES COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(c1OC(=O)c1ccc(cc1)C)Br

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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 C26H25BrN2O5 MW 525.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN2O5/c1-16-8-10-20(11-9-16)26(31)34-25-21(27)12-19(13-22(25)32-4)14-28-29-23(30)15-33-24-17(2)6-5-7-18(24)3/h5-14H,15H2,1-4H3,(H,29,30)/b28-14+
InChIKey
ROPPCQNMKPFOOC-CCVNUDIWSA-N
Synonyms

(2bromo4((E)((2(26dimethylphenoxy)acetyl)hydrazinylidene)methyl)6methoxyphenyl)4methylbenzoate
2BROMO4((E)(2((26DIMETHYLPHENOXY)ACETYL)HYDRAZINYLIDENE)METHYL)6METHOXYPHENYL4METHYLBENZOATE
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C=NNC(=O)COC3=C(C=CC=C3C)C)OC
COc1cc(C=NNC(=O)COc2c(C)cccc2C)cc(c1OC(=O)c1ccc(cc1)C)Br
InChI=1SC26H25BrN2O5c11681020(11916)26(31)342521(27)1219(1322(25)324)14282923(30)15332417(2)65718(24)3h514H15H214H3(H2930)b2814+
MFCD01039847
STK006473
ZINC000097957807
ZINC101380170

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Available files

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