Vitas-M small molecule compound

(2E)-2-{4-[(1,1-dioxido-1,2-benzothiazol-3-yl)oxy]benzylidene}hydrazinecarbothioamide

Catalog ID
STL287183
SMILES NC(=S)N/N=C/c1ccc(cc1)OC1=NS(=O)(=O)c2c1cccc2

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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 C15H12N4O3S2 MW 360.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N4O3S2/c16-15(23)18-17-9-10-5-7-11(8-6-10)22-14-12-3-1-2-4-13(12)24(20,21)19-14/h1-9H,(H3,16,18,23)/b17-9+
InChIKey
NPPJIQGNCXFYCO-RQZCQDPDSA-N
Synonyms

((E)(4((11dioxo12benzothiazol3yl)oxy)phenyl)methylideneamino)thiourea
(2E)2(4((11dioxido12benzothiazol3yl)oxy)benzylidene)hydrazinecarbothioamide
C1=CC=C2C(=C1)C(=NS2(=O)=O)OC3=CC=C(C=C3)C=NNC(=S)N
InChI=1SC15H12N4O3S2c1615(23)18179105711(8610)221412312413(12)24(2021)1914h19H(H3161823)b179+
MFCD24847434
NC(=S)NN=Cc1ccc(cc1)OC1=NS(=O)(=O)c2c1cccc2
ZINC000095481826
ZINC101349065

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Available files

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