Vitas-M small molecule compound

N-{[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl}-3-iodobenzamide

Catalog ID
STK254853
SMILES S=C(NC(=O)c1cccc(c1)I)Nc1ccc(cc1)N1CCN(CC1)Cc1ccccc1

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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 C25H25IN4OS MW 556.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25IN4OS/c26-21-8-4-7-20(17-21)24(31)28-25(32)27-22-9-11-23(12-10-22)30-15-13-29(14-16-30)18-19-5-2-1-3-6-19/h1-12,17H,13-16,18H2,(H2,27,28,31,32)
InChIKey
AOOJDOJRRDHCAW-UHFFFAOYSA-N
Synonyms

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)I
InChI=1SC25H25IN4OSc262184720(1721)24(31)2825(32)272291123(121022)30151329(141630)18195213619h11217H131618H2(H227283132)
MFCD03906678
N((4(4benzylpiperazin1yl)phenyl)carbamothioyl)3iodobenzamide
ZINC000100055340
ZINC100055340

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Available files

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