Vitas-M small molecule compound

N-{[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl}-3-bromobenzamide

Catalog ID
STK173250
SMILES Brc1cccc(c1)C(=O)NC(=S)Nc1cccc(c1C)c1nc2c(s1)cccc2

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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 C22H16BrN3OS2 MW 482.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN3OS2/c1-13-16(21-24-18-9-2-3-11-19(18)29-21)8-5-10-17(13)25-22(28)26-20(27)14-6-4-7-15(23)12-14/h2-12H,1H3,(H2,25,26,27,28)
InChIKey
OGCIKTPJJYVCKF-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4S3
InChI=1SC22H16BrN3OS2c11316(2124189231119(18)2921)851017(13)2522(28)2620(27)1464715(23)1214h212H1H3(H225262728)
MFCD02917365
N((3(13BENZOTHIAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)3BROMOBENZAMIDE
ZINC000002979066
ZINC02979066
ZINC2979066

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Available files

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