Vitas-M small molecule compound

N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,3,5-trimethylphenoxy)acetamide

Catalog ID
STK225786
SMILES O=C(Nc1nc2c(s1)cccc2)COc1cc(C)c(c(c1C)C)Br

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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 C18H17BrN2O2S MW 405.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrN2O2S/c1-10-8-14(11(2)12(3)17(10)19)23-9-16(22)21-18-20-13-6-4-5-7-15(13)24-18/h4-8H,9H2,1-3H3,(H,20,21,22)
InChIKey
CTCBLXUHQVNLOZ-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C(=C1Br)C)C)OCC(=O)NC2=NC3=CC=CC=C3S2
InChI=1SC18H17BrN2O2Sc110814(11(2)12(3)17(10)19)23916(22)21182013645715(13)2418h48H9H213H3(H202122)
MFCD07038446
N(13benzothiazol2yl)2(4bromo235trimethylphenoxy)acetamide
ZINC000004834291
ZINC04834291
ZINC4834291

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Available files

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