Vitas-M small molecule compound
3-{[2-(dimethylammonio)ethoxy]carbonyl}-5,5-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylate
Catalog ID
STL564460
SMILES C[NH+](CCOC(=O)C1CC2=C(CC1C(=O)[O-])CCCC2(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 C18H29NO4 MW 323.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H29NO4/c1-18(2)7-5-6-12-10-13(16(20)21)14(11-15(12)18)17(22)23-9-8-19(3)4/h13-14H,5-11H2,1-4H3,(H,20,21)InChIKey
SQDFUMNRZHDLGQ-UHFFFAOYSA-NSynonyms
307974-59-03((2(dimethylammonio)ethoxy)carbonyl)55dimethyl12345678octahydronaphthalene2carboxylate
3(2(dimethylazaniumyl)ethoxycarbonyl)55dimethyl234678hexahydro1Hnaphthalene2carboxylate
307974590
3713351
C(NH+)(CCOC(=O)C1CC2=C(CC1C(=O)(O))CCCC2(C)C)C
InChI=1SC18H29NO4c118(2)756121013(16(20)21)14(1115(12)18)17(22)239819(3)4h1314H511H214H3(H2021)
ZINC000000321837
ZINC000004023254
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