Vitas-M small molecule compound

1-methyl-3-(thiophen-3-ylcarbonyl)-1-azoniabicyclo[2.2.2]octane

Catalog ID
STL147187
SMILES O=C(C1C[N+]2(C)CCC1CC2)c1cscc1

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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 C13H18NOS MW 236.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18NOS/c1-14-5-2-10(3-6-14)12(8-14)13(15)11-4-7-16-9-11/h4,7,9-10,12H,2-3,5-6,8H2,1H3/q+1
InChIKey
LKRZDMLPPGYLEO-UHFFFAOYSA-N
Synonyms

(1METHYL1AZONIABICYCLO(222)OCTAN3YL)THIOPHEN3YLMETHANONE
1methyl3(thiophen3ylcarbonyl)1azoniabicyclo(222)octane
1methyl3(thiophene3carbonyl)quinuclidin1iumiodide
C(N+)12CCC(CC1)C(C2)C(=O)C3=CSC=C3
InChI=1SC13H18NOSc1145210(3614)12(814)13(15)114716911h4791012H23568H21H3q+1
MFCD03284201
O=C(C1C(N+)2(C)CCC1CC2)c1cscc1
O=C(C1C(N+)2(C)CCC1CC2)c1cscc1(I)
ZINC000000547455
ZINC000000547456

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Available files

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