Vitas-M small molecule compound

6-{[2-(dimethylammonio)ethoxy]carbonyl}-3,5-dimethylcyclohex-3-ene-1-carboxylate

Catalog ID
STL343289
SMILES C[NH+](CCOC(=O)C1C(C)C=C(CC1C(=O)[O-])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 C14H23NO4 MW 269.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H23NO4/c1-9-7-10(2)12(11(8-9)13(16)17)14(18)19-6-5-15(3)4/h7,10-12H,5-6,8H2,1-4H3,(H,16,17)
InChIKey
UWKFNPDBBIBDBH-UHFFFAOYSA-N
Synonyms
467237-03-2
467237032
4CYCLOHEXENE12DICARBOXYLICACID35DIMETHYL2(2DIMETHYLAMINO)ETHYLESTER
6((2(DIMETHYLAMINO)ETHOXY)CARBONYL)35DIMETHYL3CYCLOHEXENE1CARBOXYLICACID
6((2(dimethylammonio)ethoxy)carbonyl)35dimethylcyclohex3ene1carboxylate
6((2(dimethylammonio)ethoxy)carbonyl)35dimethylcyclohex3enecarboxylate
6(2(dimethylamino)ethoxycarbonyl)35dimethylcyclohex3ene1carboxylicacid
6(2(DIMETHYLAZANIUMYL)ETHOXYCARBONYL)35DIMETHYLCYCLOHEX3ENE1CARBOXYLATE
6(2DIMETHYLAMINOETHYLOXYCARBONYL)35DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
C(NH+)(CCOC(=O)C1C(C)C=C(CC1C(=O)(O))C)C
CC1C=C(CC(C1C(=O)OCCN(C)C)C(=O)O)C
InChI=1SC14H23NO4c19710(2)12(11(89)13(16)17)14(18)196515(3)4h71012H568H214H3(H1617)
MFCD01004115
ZINC000000537235
ZINC000245312363

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.