Vitas-M small molecule compound
N,N-dimethyl-2-oxo-2-(prop-2-yn-1-yloxy)-N-[(3,4,5-trichlorothiophen-2-yl)methyl]ethanaminium
Catalog ID
STL058904
SMILES C#CCOC(=O)C[N+](Cc1sc(c(c1Cl)Cl)Cl)(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 C12H13Cl3NO2S MW 341.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13Cl3NO2S/c1-4-5-18-9(17)7-16(2,3)6-8-10(13)11(14)12(15)19-8/h1H,5-7H2,2-3H3/q+1InChIKey
JDJFQKZZTITCMO-UHFFFAOYSA-NSynonyms
C#CCOC(=O)C(N+)(Cc1sc(c(c1Cl)Cl)Cl)(C)C
C#CCOC(=O)C(N+)(Cc1sc(c(c1Cl)Cl)Cl)(C)C(Cl)
C(N+)(C)(CC1=C(C(=C(S1)Cl)Cl)Cl)CC(=O)OCC#C
DIMETHYL(2OXO2PROP2YNOXYETHYL)((345TRICHLOROTHIOPHEN2YL)METHYL)AZANIUM
InChI=1SC12H13Cl3NO2Sc145189(17)716(23)6810(13)11(14)12(15)198h1H57H223H3q+1
NNdimethyl2oxo2(prop2yn1yloxy)N((345trichlorothiophen2yl)methyl)ethanaminium
NNdimethyl2oxo2(prop2yn1yloxy)N((345trichlorothiophen2yl)methyl)ethanaminiumchloride
ZINC000001813753
ZINC01813753
ZINC1813753
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