Vitas-M small molecule compound

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-chloro-4-methylbenzamide

Catalog ID
STK389454
SMILES COc1ccc(cc1NC(=O)c1ccc(cc1Cl)C)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 C22H17ClN2O2S MW 408.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O2S/c1-13-7-9-15(16(23)11-13)21(26)24-18-12-14(8-10-19(18)27-2)22-25-17-5-3-4-6-20(17)28-22/h3-12H,1-2H3,(H,24,26)
InChIKey
BUFFIHINCXILLP-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)OC)Cl
InChI=1SC22H17ClN2O2Sc1137915(16(23)1113)21(26)24181214(81019(18)272)222517534620(17)2822h312H12H3(H2426)
MFCD03836377
N(5(13benzothiazol2yl)2methoxyphenyl)2chloro4methylbenzamide
N(5BENZOTHIAZOL2YL2METHOXYPHENYL)(2CHLORO4METHYLPHENYL)CARBOXAMIDE
ZINC000004554545
ZINC04554545
ZINC4554545

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Available files

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