Vitas-M small molecule compound

5-bromo-N-{[2-chloro-5-(propanoylamino)phenyl]carbamothioyl}-2-methoxybenzamide

Catalog ID
STK864125
SMILES CCC(=O)Nc1ccc(c(c1)NC(=S)NC(=O)c1cc(Br)ccc1OC)Cl

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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 C18H17BrClN3O3S MW 470.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrClN3O3S/c1-3-16(24)21-11-5-6-13(20)14(9-11)22-18(27)23-17(25)12-8-10(19)4-7-15(12)26-2/h4-9H,3H2,1-2H3,(H,21,24)(H2,22,23,25,27)
InChIKey
YBYLHWAFYDRSBW-UHFFFAOYSA-N
Synonyms
693268-34-7
5bromoN((2chloro5(propanoylamino)phenyl)carbamothioyl)2methoxybenzamide
5bromoN((2chloro5propionamidophenyl)carbamothioyl)2methoxybenzamide
693268347
CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC
InChI=1SC18H17BrClN3O3Sc1316(24)21115613(20)14(911)2218(27)2317(25)12810(19)4715(12)262h49H3H212H3(H2124)(H222232527)
MFCD03677807
ZINC000001146322
ZINC01146322
ZINC1146322

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Available files

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