Vitas-M small molecule compound

N-{[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl}-2-bromobenzamide

Catalog ID
STK163577
SMILES S=C(NC(=O)c1ccccc1Br)Nc1cc(ccc1C)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/c1-13-10-11-14(21-24-17-8-4-5-9-19(17)29-21)12-18(13)25-22(28)26-20(27)15-6-2-3-7-16(15)23/h2-12H,1H3,(H2,25,26,27,28)
InChIKey
QYNQBFVNKKIGMN-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CC=C4Br
InChI=1SC22H16BrN3OS2c113101114(212417845919(17)2921)1218(13)2522(28)2620(27)15623716(15)23h212H1H3(H225262728)
MFCD03030700
N((5(13BENZOTHIAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)2BROMOBENZAMIDE
ZINC000002979080
ZINC02979080
ZINC2979080

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Available files

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