Vitas-M small molecule compound

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

Catalog ID
STK761497
SMILES COc1ccc(c(c1)C1SCc2c(CS1)cc(c(c2)C)C)O

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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 C18H20O2S2 MW 332.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20O2S2/c1-11-6-13-9-21-18(22-10-14(13)7-12(11)2)16-8-15(20-3)4-5-17(16)19/h4-8,18-19H,9-10H2,1-3H3
InChIKey
LZOQKZYEBDHQQM-UHFFFAOYSA-N
Synonyms
309286-77-9
2(78dimethyl15dihydro24benzodithiepin3yl)4methoxyphenol
2(78DIMETHYL15DIHYDROBENZO(E)(13)DITHIEPIN3YL)4METHOXYPHENOL
309286779
CC1=C(C=C2CSC(SCC2=C1)C3=C(C=CC(=C3)OC)O)C
InChI=1SC18H20O2S2c11161392118(221014(13)712(11)2)16815(203)4517(16)19h481819H910H213H3
MFCD01828906
PHENOL4METHOXY2(78DIMETHYLBENZO(E)DITHIEPAN3YL)
ZINC000000082149
ZINC00082149
ZINC82149

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Available files

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