Vitas-M small molecule compound

(2Z)-2-[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Catalog ID
STK694117
SMILES COc1c(/C=C/2\N3CCC(C2=O)CC3)cc(c2c1OCO2)OC

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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 C17H19NO5 MW 317.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO5/c1-20-13-8-11(15(21-2)17-16(13)22-9-23-17)7-12-14(19)10-3-5-18(12)6-4-10/h7-8,10H,3-6,9H2,1-2H3/b12-7-
InChIKey
BRJWUTGUXNZUGT-GHXNOFRVSA-N
Synonyms

(2Z)2((47dimethoxy13benzodioxol5yl)methylidene)1azabicyclo(222)octan3one
2((47DIMETHOXY2H13BENZODIOXOL5YL)METHYLIDENE)1AZABICYCLO(222)OCTAN3ONE
COC1=C2C(=C(C(=C1)C=C3C(=O)C4CCN3CC4)OC)OCO2
COc1c(C=C2N3CCC(C2=O)CC3)cc(c2c1OCO2)OC
InChI=1SC17H19NO5c12013811(15(212)1716(13)2292317)71214(19)103518(12)6410h7810H369H212H3b127
MFCD12034360
ZINC000015110162
ZINC15110162

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Available files

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