Vitas-M small molecule compound
bis[N,N,N-trimethyl-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanaminium] 4,4,5-trimethylcyclopentane-1,3-dicarboxylate
Catalog ID
STK700398
SMILES CC(C12CC3CC(C2)CC(C1)C3)[N+](C)(C)C.CC(C12CC3CC(C2)CC(C1)C3)[N+](C)(C)C.[O-]C(=O)C1CC(C(C1C)(C)C)C(=O)[O-]
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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 C40H70N2O4 MW 643.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/2C15H28N.C10H16O4/c2*1-11(16(2,3)4)15-8-12-5-13(9-15)7-14(6-12)10-15;1-5-6(8(11)12)4-7(9(13)14)10(5,2)3/h2*11-14H,5-10H2,1-4H3;5-7H,4H2,1-3H3,(H,11,12)(H,13,14)/q2*+1;/p-2InChIKey
PYIAGQVKZRFOCJ-UHFFFAOYSA-LSynonyms
1((3r5r7r)adamantan1yl)NNNtrimethylethanaminium445trimethylcyclopentane13dicarboxylate
1(1adamantyl)ethyltrimethylazanium445trimethylcyclopentane13dicarboxylate
bis(NNNtrimethyl1(tricyclo(3311~37~)dec1yl)ethanaminium)445trimethylcyclopentane13dicarboxylate
CC(C12CC3CC(C2)CC(C1)C3)(N+)(C)(C)CCC(C12CC3CC(C2)CC(C1)C3)(N+)(C)(C)C(O)C(=O)C1CC(C(C1C)(C)C)C(=O)(O)
CC1C(CC(C1(C)C)C(=O)(O))C(=O)(O)CC(C12CC3CC(C1)CC(C3)C2)(N+)(C)(C)CCC(C12CC3CC(C1)CC(C3)C2)(N+)(C)(C)C
InChI=1S2C15H28NC10H16O4c2*111(16(23)4)15812513(915)714(612)1015156(8(11)12)47(9(13)14)10(52)3h2*1114H510H214H357H4H213H3(H1112)(H1314)q2*+1p2
MFCD02982025
ZINC000004762700
Check stock
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Check stock on Vitas-MAvailable files
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