Vitas-M small molecule compound
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,N,N-trimethyl-2-oxoethanaminium
Catalog ID
STL059210
SMILES O=C(c1ccc2c(c1)OCCCO2)C[N+](C)(C)C
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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 C14H20NO3 MW 250.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20NO3/c1-15(2,3)10-12(16)11-5-6-13-14(9-11)18-8-4-7-17-13/h5-6,9H,4,7-8,10H2,1-3H3/q+1InChIKey
CSPHQBBCCDSEIE-UHFFFAOYSA-NSynonyms
(2(34DIHYDRO2H15BENZODIOXEPIN7YL)2OXOETHYL)TRIMETHYLAZANIUM
2(34dihydro2H15benzodioxepin7yl)NNNtrimethyl2oxoethanaminium
2(34dihydro2Hbenzo(b)(14)dioxepin7yl)NNNtrimethyl2oxoethanaminiumbromide
C(N+)(C)(C)CC(=O)C1=CC2=C(C=C1)OCCCO2
InChI=1SC14H20NO3c115(23)1012(16)11561314(911)188471713h569H47810H213H3q+1
O=C(c1ccc2c(c1)OCCCO2)C(N+)(C)(C)C
O=C(c1ccc2c(c1)OCCCO2)C(N+)(C)(C)C(Br)
ZINC000004427143
ZINC04427143
ZINC4427143
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