Vitas-M small molecule compound
N,N-diethyl-N-methyl-2-[(2-{[(3-methyl-1-benzofuran-2-yl)carbonyl]oxy}ethyl)sulfanyl]ethanaminium
Catalog ID
STL043313
SMILES CC[N+](CCSCCOC(=O)c1oc2c(c1C)cccc2)(CC)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 C19H28NO3S MW 350.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28NO3S/c1-5-20(4,6-2)11-13-24-14-12-22-19(21)18-15(3)16-9-7-8-10-17(16)23-18/h7-10H,5-6,11-14H2,1-4H3/q+1InChIKey
LBGOSZJBCWHGNP-UHFFFAOYSA-NSynonyms
CC(N+)(C)(CC)CCSCCOC(=O)C1=C(C2=CC=CC=C2O1)C
CC(N+)(CCSCCOC(=O)c1oc2c(c1C)cccc2)(CC)C
CC(N+)(CCSCCOC(=O)c1oc2c(c1C)cccc2)(CC)C(I)
DIETHYLMETHYL(2(2(3METHYL1BENZOFURAN2CARBONYL)OXYETHYLSULFANYL)ETHYL)AZANIUM
InChI=1SC19H28NO3Sc1520(462)11132414122219(21)1815(3)169781017(16)2318h710H561114H214H3q+1
NNdiethylNmethyl2((2(((3methyl1benzofuran2yl)carbonyl)oxy)ethyl)sulfanyl)ethanaminium
NNdiethylNmethyl2((2((3methylbenzofuran2carbonyl)oxy)ethyl)thio)ethanaminiumiodide
ZINC000001820296
ZINC01820296
ZINC1820296
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