Vitas-M small molecule compound

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide

Catalog ID
STK355572
SMILES Brc1ccc(c(c1)C(=O)Nc1ccc(cc1C)c1nc2c(s1)cccc2)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 C21H14BrClN2OS MW 457.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrClN2OS/c1-12-10-13(21-25-18-4-2-3-5-19(18)27-21)6-9-17(12)24-20(26)15-11-14(22)7-8-16(15)23/h2-11H,1H3,(H,24,26)
InChIKey
JYBLLIFUWUJZNJ-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=CC(=C4)Br)Cl
InChI=1SC21H14BrClN2OSc1121013(212518423519(18)2721)6917(12)2420(26)151114(22)7816(15)23h211H1H3(H2426)
MFCD06007062
N(4(13benzothiazol2yl)2methylphenyl)5bromo2chlorobenzamide
ZINC000002880007
ZINC02880007
ZINC2880007

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Available files

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