Vitas-M small molecule compound

5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STL235328
SMILES CCN1C(=S)N(CC)C(=O)C(=CNC2CCN(CC2)Cc2ccccc2)C1=O

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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 C21H28N4O2S MW 400.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2S/c1-3-24-19(26)18(20(27)25(4-2)21(24)28)14-22-17-10-12-23(13-11-17)15-16-8-6-5-7-9-16/h5-9,14,17,22H,3-4,10-13,15H2,1-2H3
InChIKey
XKKDRSLRSZEHGQ-UHFFFAOYSA-N
Synonyms

5(((1benzylpiperidin4yl)amino)methylene)13diethyl2thioxodihydropyrimidine46(1H5H)dione
5(((1BENZYLPIPERIDIN4YL)AMINO)METHYLIDENE)13DIETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5(((1benzylpiperidin4yl)amino)methylidene)13diethyl2thioxodihydropyrimidine46(1H5H)dione
CCN1C(=O)C(=CNC2CCN(CC2)CC3=CC=CC=C3)C(=O)N(C1=S)CC
InChI=1SC21H28N4O2Sc132419(26)18(20(27)25(42)21(24)28)142217101223(131117)15168657916h59141722H34101315H212H3
MFCD02991559
ZINC000019996936
ZINC19996936

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Available files

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