Vitas-M small molecule compound

2-{2-[(3,4-dimethylphenyl)sulfonyl]ethyl}-1,3-benzothiazole

Catalog ID
STK763728
SMILES Cc1ccc(cc1C)S(=O)(=O)CCc1nc2c(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 C17H17NO2S2 MW 331.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO2S2/c1-12-7-8-14(11-13(12)2)22(19,20)10-9-17-18-15-5-3-4-6-16(15)21-17/h3-8,11H,9-10H2,1-2H3
InChIKey
KFQGTLCMLZXJBM-UHFFFAOYSA-N
Synonyms
332165-86-3
2(2((34DIMETHYLPHENYL)SULFONYL)ETHYL)13BENZOTHIAZOLE
2(2(34DIMETHYLPHENYL)SULFONYLETHYL)13BENZOTHIAZOLE
332165863
BENZOTHIAZOLE2(2(34DIMETHYLPHENYLSULFONYL)ETHYL)
CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3S2)C
InChI=1SC17H17NO2S2c1127814(1113(12)2)22(1920)109171815534616(15)2117h3811H910H212H3
MFCD02044698
ZINC000000258683
ZINC00258683
ZINC258683

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Available files

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