Vitas-M small molecule compound

4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide

Catalog ID
STK018744
SMILES COc1cc(ccc1OC)C1CC(=O)/C(=C/NCCN2CCN(CC2)C(=S)Nc2ccccc2)/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 C28H34N4O4S MW 522.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O4S/c1-35-26-9-8-20(18-27(26)36-2)21-16-24(33)23(25(34)17-21)19-29-10-11-31-12-14-32(15-13-31)28(37)30-22-6-4-3-5-7-22/h3-9,18-19,21,29H,10-17H2,1-2H3,(H,30,37)/b23-19-
InChIKey
FKYZRWWDEDHGNG-NMWGTECJSA-N
Synonyms

4(2(((4(34dimethoxyphenyl)26dioxocyclohexylidene)methyl)amino)ethyl)Nphenylpiperazine1carbothioamide
COc1cc(ccc1OC)C1CC(=O)C(=CNCCN2CCN(CC2)C(=S)Nc2ccccc2)C(=O)C1
MFCD03163306
STK018744
ZINC000100424868

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Available files

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