Vitas-M small molecule compound

N-(2,1,3-benzoxadiazol-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carbothioamide

Catalog ID
STL238709
SMILES S=C(N1CCN(CC1)c1ccc(c(c1)Cl)Cl)Nc1cccc2c1non2

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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 C17H15Cl2N5OS MW 408.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15Cl2N5OS/c18-12-5-4-11(10-13(12)19)23-6-8-24(9-7-23)17(26)20-14-2-1-3-15-16(14)22-25-21-15/h1-5,10H,6-9H2,(H,20,26)
InChIKey
VHULDIQBTVLLQS-UHFFFAOYSA-N
Synonyms
951968-38-0
951968380
C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=S)NC3=CC=CC4=NON=C43
InChI=1SC17H15Cl2N5OSc18125411(1013(12)19)236824(9723)17(26)20142131516(14)22252115h1510H69H2(H2026)
MFCD09857501
N(213benzoxadiazol4yl)4(34dichlorophenyl)piperazine1carbothioamide
N(benzo(c)(125)oxadiazol4yl)4(34dichlorophenyl)piperazine1carbothioamide
ZINC000013730470
ZINC13730470

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Available files

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