Vitas-M small molecule compound

2-[(3,4-dimethoxybenzyl)sulfanyl]-1,3-benzothiazole

Catalog ID
STK866260
SMILES COc1cc(CSc2nc3c(s2)cccc3)ccc1OC

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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 C16H15NO2S2 MW 317.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO2S2/c1-18-13-8-7-11(9-14(13)19-2)10-20-16-17-12-5-3-4-6-15(12)21-16/h3-9H,10H2,1-2H3
InChIKey
POJHJZHJCMZRCS-UHFFFAOYSA-N
Synonyms
321973-70-0
2((34dimethoxybenzyl)sulfanyl)13benzothiazole
2((34dimethoxybenzyl)thio)benzo(d)thiazole
2((34DIMETHOXYBENZYL)THIO)BENZOTHIAZOLE
2((34DIMETHOXYPHENYL)METHYLSULFANYL)13BENZOTHIAZOLE
321973700
4(BENZOTHIAZOL2YLTHIOMETHYL)12DIMETHOXYBENZENE
COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3S2)OC
InChI=1SC16H15NO2S2c118138711(914(13)192)1020161712534615(12)2116h39H10H212H3
MFCD00720346
ZINC000000202646
ZINC00202646
ZINC202646

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Available files

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