Vitas-M small molecule compound

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

Catalog ID
STK223026
SMILES COc1cc(ccc1OC)C(=O)NC(=S)Nc1ccccc1c1nc2c(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 C23H19N3O3S2 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O3S2/c1-28-18-12-11-14(13-19(18)29-2)21(27)26-23(30)25-16-8-4-3-7-15(16)22-24-17-9-5-6-10-20(17)31-22/h3-13H,1-2H3,(H2,25,26,27,30)
InChIKey
BWYLGUXVGJLYSZ-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)OC
InChI=1SC23H19N3O3S2c12818121114(1319(18)292)21(27)2623(30)2516843715(16)2224179561020(17)3122h313H12H3(H225262730)
MFCD03908615
N((2(13BENZOTHIAZOL2YL)PHENYL)CARBAMOTHIOYL)34DIMETHOXYBENZAMIDE
ZINC000009886323
ZINC09886323
ZINC9886323

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Available files

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