Vitas-M small molecule compound
diethyl 2,2'-[(5s,7s)-5,7-dimethyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,2-diyl]diacetate
Catalog ID
STL512454
SMILES CCOC(=O)CC1(CC(=O)OCC)N2C[C@]3(CN1C[C@@](C2)(C3=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 C18H28N2O5 MW 352.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28N2O5/c1-5-24-13(21)7-18(8-14(22)25-6-2)19-9-16(3)10-20(18)12-17(4,11-19)15(16)23/h5-12H2,1-4H3/t16-,17+InChIKey
HTNBHBQKNGPBRB-CALCHBBNSA-NSynonyms
CCOC(=O)CC1(CC(=O)OCC)N2C(C@)3(CN1C(C@@)(C2)(C3=O)C)C
diethyl22((1r5R7S)57dimethyl6oxo13diazaadamantane22diyl)diacetate
diethyl22((5s7s)57dimethyl6oxo13diazatricyclo(3311~37~)decane22diyl)diacetate
InChI=1SC18H28N2O5c152413(21)718(814(22)2562)19916(3)1020(18)1217(41119)15(16)23h512H214H3t1617+
MFCD01545859
ZINC000019312955
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