Vitas-M small molecule compound

phenyl(2-thioxo[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone

Catalog ID
STK552063
SMILES S=c1nc2n(n1C(=O)c1ccccc1)c1c(s2)cccc1

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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 C15H9N3OS2 MW 311.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H9N3OS2/c19-13(10-6-2-1-3-7-10)18-14(20)16-15-17(18)11-8-4-5-9-12(11)21-15/h1-9H
InChIKey
OPTZROOTTAGUFO-UHFFFAOYSA-N
Synonyms
381177-41-9
381177419
C1=CC=C(C=C1)C(=O)N2C(=S)N=C3N2C4=CC=CC=C4S3
InChI=1SC15H9N3OS2c1913(106213710)1814(20)161517(18)11845912(11)2115h19H
MFCD02993248
PHENYL(2SULFANYLIDENE(124)TRIAZOLO(51B)(13)BENZOTHIAZOL1YL)METHANONE
phenyl(2thioxo(124)triazolo(51b)(13)benzothiazol1(2H)yl)methanone
phenyl(2thioxobenzo(45)thiazolo(32b)(124)triazol1(2H)yl)methanone
ZINC000000521032
ZINC00521032
ZINC521032

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Available files

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