Vitas-M small molecule compound

N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-2-(4-chloro-2-methylphenoxy)acetamide

Catalog ID
STK254845
SMILES O=C(NC(=S)Nc1ccc(cc1)N1CCN(CC1)C(=O)C)COc1ccc(cc1C)Cl

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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 C22H25ClN4O3S MW 460.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClN4O3S/c1-15-13-17(23)3-8-20(15)30-14-21(29)25-22(31)24-18-4-6-19(7-5-18)27-11-9-26(10-12-27)16(2)28/h3-8,13H,9-12,14H2,1-2H3,(H2,24,25,29,31)
InChIKey
MKELAUAUWUAOGF-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC(=C1)Cl)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C
InChI=1SC22H25ClN4O3Sc1151317(23)3820(15)301421(29)2522(31)24184619(7518)2711926(101227)16(2)28h3813H91214H212H3(H224252931)
MFCD03922635
N((4(4acetylpiperazin1yl)phenyl)carbamothioyl)2(4chloro2methylphenoxy)acetamide
ZINC000001131344
ZINC01131344
ZINC1131344

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Available files

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