Vitas-M small molecule compound

N-{[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-butoxybenzamide

Catalog ID
STK345045
SMILES CCCCOc1ccc(cc1)C(=O)NC(=S)Nc1ccccc1N1CCN(CC1)C(=O)C

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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 C24H30N4O3S MW 454.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O3S/c1-3-4-17-31-20-11-9-19(10-12-20)23(30)26-24(32)25-21-7-5-6-8-22(21)28-15-13-27(14-16-28)18(2)29/h5-12H,3-4,13-17H2,1-2H3,(H2,25,26,30,32)
InChIKey
WAPNGUBKYNRJDU-UHFFFAOYSA-N
Synonyms

1(2(4ACETYLPIPERAZIN1YL)PHENYL)3(4BUTOXYBENZOYL)THIOUREA
CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C
InChI=1SC24H30N4O3Sc13417312011919(101220)23(30)2624(32)2521756822(21)28151327(141628)18(2)29h512H341317H212H3(H225263032)
MFCD06628252
N((2(4acetylpiperazin1yl)phenyl)carbamothioyl)4butoxybenzamide
ZINC000012856285
ZINC12856285

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Available files

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