Vitas-M small molecule compound

5-(3,4-dimethoxyphenyl)-2-[({2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione

Catalog ID
STL023631
SMILES COc1cc(ccc1OC)C1CC(=O)/C(=C/NCCN2CCN(CC2)C(=O)c2ccccc2)/C(=O)C1

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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 C28H33N3O5 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O5/c1-35-26-9-8-21(18-27(26)36-2)22-16-24(32)23(25(33)17-22)19-29-10-11-30-12-14-31(15-13-30)28(34)20-6-4-3-5-7-20/h3-9,18-19,22,29H,10-17H2,1-2H3/b23-19-
InChIKey
ZGHFEXJWWLDZQF-NMWGTECJSA-N
Synonyms

2(((2(4benzoylpiperazin1yl)ethyl)amino)methylene)5(34dimethoxyphenyl)cyclohexane13dione
5(34dimethoxyphenyl)2(((2(4(phenylcarbonyl)piperazin1yl)ethyl)amino)methylidene)cyclohexane13dione
COc1cc(ccc1OC)C1CC(=O)C(=CNCCN2CCN(CC2)C(=O)c2ccccc2)C(=O)C1
MFCD03612973
ZINC000100428835

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.