Vitas-M small molecule compound

2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol

Catalog ID
STK761498
SMILES Oc1ccccc1C1SCc2c(CS1)cc(c(c2)C)C

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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 C17H18OS2 MW 302.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18OS2/c1-11-7-13-9-19-17(15-5-3-4-6-16(15)18)20-10-14(13)8-12(11)2/h3-8,17-18H,9-10H2,1-2H3
InChIKey
CDTRHNXTYFNMBG-UHFFFAOYSA-N
Synonyms
309286-78-0
2(78dimethyl15dihydro24benzodithiepin3yl)phenol
2(78DIMETHYL15DIHYDROBENZO(E)(13)DITHIEPIN3YL)PHENOL
309286780
CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3O)C
InChI=1SC17H18OS2c11171391917(15534616(15)18)201014(13)812(11)2h381718H910H212H3
MFCD01853499
PHENOL2(67DIMETHYLBENZO(E)DITHIEPAN2YL)
ZINC000000082152
ZINC00082152
ZINC82152

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Available files

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