Vitas-M small molecule compound

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

Catalog ID
STK761505
SMILES Cc1cc2CSC(SCc2cc1C)c1ccc2c(c1O)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 C21H20OS2 MW 352.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20OS2/c1-13-9-16-11-23-21(24-12-17(16)10-14(13)2)19-8-7-15-5-3-4-6-18(15)20(19)22/h3-10,21-22H,11-12H2,1-2H3
InChIKey
USUYEDOCOSWADU-UHFFFAOYSA-N
Synonyms
309286-86-0
2(78dimethyl15dihydro24benzodithiepin3yl)naphthalen1ol
2(78DIMETHYL15DIHYDROBENZO(E)(13)DITHIEPIN3YL)NAPHTHALEN1OL
309286860
CC1=C(C=C2CSC(SCC2=C1)C3=C(C4=CC=CC=C4C=C3)O)C
InChI=1SC21H20OS2c113916112321(241217(16)1014(13)2)198715534618(15)20(19)22h3102122H1112H212H3
MFCD01854710
ZINC000002267454
ZINC02267454
ZINC2267454

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Available files

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