Vitas-M small molecule compound
6-{[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK458407
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)NNC(=O)c1ccc2c(c1)OCO2
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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 C18H20N2O6 MW 360.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O6/c1-9-5-12(13(18(23)24)6-10(9)2)17(22)20-19-16(21)11-3-4-14-15(7-11)26-8-25-14/h3-4,7,12-13H,5-6,8H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)InChIKey
BKHMQVPIQXGNBU-UHFFFAOYSA-NSynonyms
6((13BENZODIOXOLE5CARBONYLAMINO)CARBAMOYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
6((2(13BENZODIOXOL5YLCARBONYL)HYDRAZINO)CARBONYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
6((2(13benzodioxol5ylcarbonyl)hydrazinyl)carbonyl)34dimethylcyclohex3ene1carboxylicacid
6(N(2HBENZO(34D)13DIOXOLAN5YLCARBONYLAMINO)CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O)C
InChI=1SC18H20N2O6c19512(13(18(23)24)610(9)2)17(22)201916(21)11341415(711)2682514h3471213H568H212H3(H1921)(H2022)(H2324)
MFCD02608846
ZINC000005523257
ZINC000005523277
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