Vitas-M small molecule compound

N-[(E)-(3-nitrophenyl)methylidene]-2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-amine

Catalog ID
STK756249
SMILES C=CCSc1nc2c(s1)cc(cc2)/N=C/c1cccc(c1)[N+](=O)[O-]

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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 C17H13N3O2S2 MW 355.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O2S2/c1-2-8-23-17-19-15-7-6-13(10-16(15)24-17)18-11-12-4-3-5-14(9-12)20(21)22/h2-7,9-11H,1,8H2/b18-11+
InChIKey
HGGXFDZYSGFMDZ-WOJGMQOQSA-N
Synonyms

C=CCSc1nc2c(s1)cc(cc2)N=Cc1cccc(c1)(N+)(=O)(O)
MFCD00714120
N((E)(3nitrophenyl)methylidene)2(prop2en1ylsulfanyl)13benzothiazol6amine
ZINC000003073178

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Available files

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