Vitas-M small molecule compound

N-{[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl}-3-methylbenzamide

Catalog ID
STK259604
SMILES Cc1cccc(c1)C(=O)NC(=S)Nc1ccc(c(c1)Cl)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 C22H16ClN3OS2 MW 437.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3OS2/c1-13-5-4-6-14(11-13)20(27)26-22(28)24-15-9-10-16(17(23)12-15)21-25-18-7-2-3-8-19(18)29-21/h2-12H,1H3,(H2,24,26,27,28)
InChIKey
YIYWGPPUEKOROQ-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl
InChI=1SC22H16ClN3OS2c11354614(1113)20(27)2622(28)241591016(17(23)1215)212518723819(18)2921h212H1H3(H224262728)
MFCD04076639
N((4(13benzothiazol2yl)3chlorophenyl)carbamothioyl)3methylbenzamide
ZINC000002594509
ZINC02594509
ZINC2594509

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Available files

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