Vitas-M small molecule compound

propyl {3-oxo-1-[(phenylcarbonyl)carbamothioyl]piperazin-2-yl}acetate

Catalog ID
STL064452
SMILES CCCOC(=O)CC1C(=O)NCCN1C(=S)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 C17H21N3O4S MW 363.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O4S/c1-2-10-24-14(21)11-13-16(23)18-8-9-20(13)17(25)19-15(22)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,18,23)(H,19,22,25)
InChIKey
PDKQXQHHIDXVFP-UHFFFAOYSA-N
Synonyms

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2
InChI=1SC17H21N3O4Sc12102414(21)111316(23)188920(13)17(25)1915(22)126435712h3713H2811H21H3(H1823)(H192225)
MFCD05871397
propyl(3oxo1((phenylcarbonyl)carbamothioyl)piperazin2yl)acetate
PROPYL2(1(BENZOYLCARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
ZINC000007262450
ZINC000007262463

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Available files

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