Vitas-M small molecule compound

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

Catalog ID
STK347362
SMILES CC(CC(=O)NC(=S)Nc1ccc(cc1c1nc2c(s1)cccc2)Cl)C

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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 C19H18ClN3OS2 MW 403.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3OS2/c1-11(2)9-17(24)23-19(25)22-14-8-7-12(20)10-13(14)18-21-15-5-3-4-6-16(15)26-18/h3-8,10-11H,9H2,1-2H3,(H2,22,23,24,25)
InChIKey
SAGZZHDPSQUEME-UHFFFAOYSA-N
Synonyms

CC(C)CC(=O)NC(=S)NC1=C(C=C(C=C1)Cl)C2=NC3=CC=CC=C3S2
InChI=1SC19H18ClN3OS2c111(2)917(24)2319(25)22148712(20)1013(14)182115534616(15)2618h381011H9H212H3(H222232425)
MFCD05661604
N(((2BENZOTHIAZOL2YL4CHLOROPHENYL)AMINO)THIOXOMETHYL)3METHYLBUTANAMIDE
N((2(13benzothiazol2yl)4chlorophenyl)carbamothioyl)3methylbutanamide
ZINC000004554931
ZINC04554931
ZINC4554931

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Available files

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