Vitas-M small molecule compound
3-[dimethyl(4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}but-2-yn-1-yl)ammonio]propane-1-sulfonate
Catalog ID
STL331678
SMILES C[N+](CC#CCOC/C=C/c1ccccc1)(CCCS(=O)(=O)[O-])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 C18H25NO4S MW 351.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25NO4S/c1-19(2,14-9-17-24(20,21)22)13-6-7-15-23-16-8-12-18-10-4-3-5-11-18/h3-5,8,10-12H,9,13-17H2,1-2H3/b12-8+InChIKey
ASFPIJHLNMRIKD-XYOKQWHBSA-NSynonyms
259801-40-6(E)3((4(cinnamyloxy)but2yn1yl)dimethylammonio)propane1sulfonate
259801406
3(dimethyl(4(((2E)3phenylprop2en1yl)oxy)but2yn1yl)ammonio)propane1sulfonate
3(DIMETHYL(4((E)3PHENYLPROP2ENOXY)BUT2YNYL)AZANIUMYL)PROPANE1SULFONATE
C(N+)(C)(CCCS(=O)(=O)(O))CC#CCOCC=CC1=CC=CC=C1
C(N+)(CC#CCOCC=Cc1ccccc1)(CCCS(=O)(=O)(O))C
InChI=1SC18H25NO4Sc119(21491724(2021)22)136715231681218104351118h3581012H91317H212H3b128+
MFCD02932287
ZINC000002310674
ZINC02310674
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