Vitas-M small molecule compound
5-ethyl-2-(2-hydroxy-3-methoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Catalog ID
STL448493
SMILES COc1cccc(c1O)C1N2CC3(CN1CC(C2)(C3=O)CC)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 C18H24N2O3 MW 316.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N2O3/c1-4-18-10-19-8-17(2,16(18)22)9-20(11-18)15(19)12-6-5-7-13(23-3)14(12)21/h5-7,15,21H,4,8-11H2,1-3H3InChIKey
PGRZKKGBLLDBOW-UHFFFAOYSA-NSynonyms
(1S5S7R)5ethyl2(2hydroxy3methoxyphenyl)7methyl13diazaadamantan6one
5ethyl2(2hydroxy3methoxyphenyl)7methyl13diazatricyclo(3311~37~)decan6one
CCC12CN3CC(C1=O)(CN(C2)C3C4=C(C(=CC=C4)OC)O)C
COc1cccc(c1O)C1N2C(C@@)3(CN1C(C@)(C2)(C3=O)CC)C
InChI=1SC18H24N2O3c14181019817(216(18)22)920(1118)15(19)1265713(233)14(12)21h571521H4811H213H3
MFCD08060327
ZINC000019323557
ZINC19323557
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