Vitas-M small molecule compound

1,1-dimethyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidinium

Catalog ID
STL338301
SMILES O=C1Cc2ccccc2C(=C2CC[N+](CC2)(C)C)c2c1scc2

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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 C20H22NOS MW 324.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22NOS/c1-21(2)10-7-14(8-11-21)19-16-6-4-3-5-15(16)13-18(22)20-17(19)9-12-23-20/h3-6,9,12H,7-8,10-11,13H2,1-2H3/q+1
InChIKey
OSVNJCMNBHWFAD-UHFFFAOYSA-N
Synonyms

10(11DIMETHYL4PIPERIDIN1IUMYLIDENE)5HBENZO(12)CYCLOHEPTA(34B)THIOPHEN4ONEIODIDE
10(11dimethylpiperidin1ium4ylidene)5Hbenzo(12)cyclohepta(34b)thiophen4one
10(11DIMETHYLPIPERIDIN1IUM4YLIDENE)5HBENZO(12)CYCLOHEPTA(34B)THIOPHEN4ONEIODIDE
11DIMETHYL4(10OXO910DIHYDRO1THIABENZO(F)AZULEN4YLIDENE)PIPERIDINIUM
11dimethyl4(10oxo910dihydro4Hbenzo(45)cyclohepta(12b)thiophen4ylidene)piperidin1iumiodide
11dimethyl4(10oxo910dihydro4Hbenzo(45)cyclohepta(12b)thiophen4ylidene)piperidinium
C(N+)1(CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1)C
InChI=1SC20H22NOSc121(2)10714(81121)1916643515(16)1318(22)2017(19)9122320h36912H78101113H212H3q+1
MFCD03687694
O=C1Cc2ccccc2C(=C2CC(N+)(CC2)(C)C)c2c1scc2
O=C1Cc2ccccc2C(=C2CC(N+)(CC2)(C)C)c2c1scc2(I)
ZINC000000521247
ZINC00521247
ZINC521247

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Available files

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