Vitas-M small molecule compound

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

Catalog ID
STK761856
SMILES Oc1ccc2c(c1C1SCc3c(CS1)cc(c(c3)C)C)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)20-18-6-4-3-5-15(18)7-8-19(20)22/h3-10,21-22H,11-12H2,1-2H3
InChIKey
XNFQEPQAXDDBTN-UHFFFAOYSA-N
Synonyms
309290-98-0
1(78DIMETHYL15DIHYDRO24BENZODITHIEPIN3YL)2NAPHTHALENOL
1(78DIMETHYL15DIHYDRO24BENZODITHIEPIN3YL)2NAPHTHOL
1(78dimethyl15dihydro24benzodithiepin3yl)naphthalen2ol
1(78DIMETHYL15DIHYDROBENZO(E)(13)DITHIEPIN3YL)NAPHTHALEN2OL
309290980
CC1=C(C=C2CSC(SCC2=C1)C3=C(C=CC4=CC=CC=C43)O)C
InChI=1SC21H20OS2c113916112321(241217(16)1014(13)2)2018643515(18)7819(20)22h3102122H1112H212H3
MFCD01830968
ZINC000002060211
ZINC02060211
ZINC2060211

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Available files

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