Vitas-M small molecule compound

N-{[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl}-2-methylbenzamide

Catalog ID
STK257388
SMILES CCCC(=O)N1CCN(CC1)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1C

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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 C23H28N4O2S MW 424.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O2S/c1-3-6-21(28)27-15-13-26(14-16-27)19-11-9-18(10-12-19)24-23(30)25-22(29)20-8-5-4-7-17(20)2/h4-5,7-12H,3,6,13-16H2,1-2H3,(H2,24,25,29,30)
InChIKey
BDEGVDAMBABSPT-UHFFFAOYSA-N
Synonyms

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3C
InChI=1SC23H28N4O2Sc13621(28)27151326(141627)1911918(101219)2423(30)2522(29)20854717(20)2h45712H361316H212H3(H224252930)
MFCD03649274
N((4(4BUTANOYLPIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)2METHYLBENZAMIDE
ZINC000004109470
ZINC04109470
ZINC4109470

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Available files

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