Vitas-M small molecule compound

N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-3-butoxybenzamide

Catalog ID
STK295452
SMILES CCCCOc1cccc(c1)C(=O)Nc1ccc(c(c1)Cl)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 C24H21ClN2O2S MW 436.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O2S/c1-2-3-13-29-18-8-6-7-16(14-18)23(28)26-17-11-12-19(20(25)15-17)24-27-21-9-4-5-10-22(21)30-24/h4-12,14-15H,2-3,13H2,1H3,(H,26,28)
InChIKey
ZQHBGNXWJIXYOS-UHFFFAOYSA-N
Synonyms

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl
InChI=1SC24H21ClN2O2Sc12313291886716(1418)23(28)2617111219(20(25)1517)2427219451022(21)3024h4121415H2313H21H3(H2628)
MFCD04360679
N(4(13benzothiazol2yl)3chlorophenyl)3butoxybenzamide
ZINC000013954925
ZINC13954925

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Available files

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