Vitas-M small molecule compound
(2E)-2-[5-bromo-2-(cyanomethoxy)benzylidene]-N-phenylhydrazinecarbothioamide
Catalog ID
STL171909
SMILES N#CCOc1ccc(cc1/C=N/NC(=S)Nc1ccccc1)Br
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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 C16H13BrN4OS MW 389.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN4OS/c17-13-6-7-15(22-9-8-18)12(10-13)11-19-21-16(23)20-14-4-2-1-3-5-14/h1-7,10-11H,9H2,(H2,20,21,23)/b19-11+InChIKey
MMKCFTKEGDUJPB-YBFXNURJSA-NSynonyms
(2E)2(5bromo2(cyanomethoxy)benzylidene)Nphenylhydrazinecarbothioamide
1((E)(5bromo2(cyanomethoxy)phenyl)methylideneamino)3phenylthiourea
C1=CC=C(C=C1)NC(=S)NN=CC2=C(C=CC(=C2)Br)OCC#N
InChI=1SC16H13BrN4OSc17136715(229818)12(1013)11192116(23)20144213514h171011H9H2(H2202123)b1911+
MFCD04047397
N#CCOc1ccc(cc1C=NNC(=S)Nc1ccccc1)Br
ZINC000002772630
ZINC96569569
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