Vitas-M small molecule compound

(2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one

Catalog ID
STK039145
SMILES O=C1C2CCN(/C/1=C/c1cccs1)CC2

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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 C12H13NOS MW 219.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NOS/c14-12-9-3-5-13(6-4-9)11(12)8-10-2-1-7-15-10/h1-2,7-9H,3-6H2/b11-8+
InChIKey
NZBSBCCCGCUASD-DHZHZOJOSA-N
Synonyms
82955-19-9
(2E)2(THIOPHEN2YLMETHYLIDENE)1AZABICYCLO(222)OCTAN3ONE
(E)2(thiophen2ylmethylene)quinuclidin3one
2(2THIENYLMETHYLENE)3QUINUCLIDINONE
2THIOPHEN2YLMETHYLENE1AZABICYCLO(222)OCTAN3ONE
82955199
C1CN2CCC1C(=O)C2=CC3=CC=CS3
InChI=1SC12H13NOSc141293513(649)11(12)8102171510h1279H36H2b118+
MFCD06797029
O=C1C2CCN(C1=Cc1cccs1)CC2
STK039145
ZINC000000145693
ZINC145693

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Available files

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