Vitas-M small molecule compound

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

Catalog ID
STK248428
SMILES CCCOc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1C)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 C25H23N3O2S2 MW 461.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O2S2/c1-3-14-30-19-11-8-17(9-12-19)23(29)28-25(31)27-20-13-10-18(15-16(20)2)24-26-21-6-4-5-7-22(21)32-24/h4-13,15H,3,14H2,1-2H3,(H2,27,28,29,31)
InChIKey
GEKJRTIUZKFLKD-UHFFFAOYSA-N
Synonyms

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)C
InChI=1SC25H23N3O2S2c1314301911817(91219)23(29)2825(31)2720131018(1516(20)2)242621645722(21)3224h41315H314H212H3(H227282931)
MFCD03922616
N((4(13benzothiazol2yl)2methylphenyl)carbamothioyl)4propoxybenzamide
ZINC000005946779
ZINC05946779
ZINC5946779

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Available files

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