Vitas-M small molecule compound
N-{[5-(acetyloxy)-6-bromo-3-(ethoxycarbonyl)-1-methyl-1H-indol-2-yl]methyl}-2-hydroxy-N,N-dimethylethanaminium
Catalog ID
STK066048
SMILES CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1C[N+](CCO)(C)C)C)Br
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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 C19H26BrN2O5 MW 442.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26BrN2O5/c1-6-26-19(25)18-13-9-17(27-12(2)24)14(20)10-15(13)21(3)16(18)11-22(4,5)7-8-23/h9-10,23H,6-8,11H2,1-5H3/q+1InChIKey
CXXFILIOZFZUIM-UHFFFAOYSA-NSynonyms
(5ACETYLOXY6BROMO3ETHOXYCARBONYL1METHYLINDOL2YL)METHYL(2HYDROXYETHYL)DIMETHYLAZANIUM
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)C(N+)(C)(C)CCO
CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1C(N+)(CCO)(C)C)C)Br
CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1C(N+)(CCO)(C)C)C)Br(I)
InChI=1SC19H26BrN2O5c162619(25)1813917(2712(2)24)14(20)1015(13)21(3)16(18)1122(45)7823h91023H6811H215H3q+1
MFCD01555582
N((5(ACETYLOXY)6BROMO3(ETHOXYCARBONYL)1METHYL1HINDOL2YL)METHYL)2HYDROXYNNDIMETHYLETHANAMINIUM
N((5acetoxy6bromo3(ethoxycarbonyl)1methyl1Hindol2yl)methyl)2hydroxyNNdimethylethanaminiumiodide
STK066048
ZINC000008934179
ZINC08934179
ZINC8934179
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