Vitas-M small molecule compound
4-{[(3,5-dimethyltricyclo[3.3.1.1~3,7~]dec-1-yl)amino]methyl}benzoic acid
Catalog ID
STK926864
SMILES OC(=O)c1ccc(cc1)CNC12CC3CC(C2)(CC(C1)(C3)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 C20H27NO2 MW 313.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO2/c1-18-7-15-8-19(2,11-18)13-20(9-15,12-18)21-10-14-3-5-16(6-4-14)17(22)23/h3-6,15,21H,7-13H2,1-2H3,(H,22,23)InChIKey
ASFWDZXKFWCQKK-UHFFFAOYSA-NSynonyms
4((((1r3R5S7r)35dimethyladamantan1yl)amino)methyl)benzoicacidhydrochloride
4(((35dimethyl1adamantyl)amino)methyl)benzoicacid
4(((35dimethyltricyclo(3311~37~)dec1yl)amino)methyl)benzoicacid
CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC=C(C=C4)C(=O)O)C
InChI=1SC20H27NO2c118715819(21118)1320(9151218)2110143516(6414)17(22)23h361521H713H212H3(H2223)
MFCD08758059
OC(=O)c1ccc(cc1)CNC12CC3CC(C2)(CC(C1)(C3)C)CCl
ZINC000010436625
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