Vitas-M small molecule compound

5,7-di(propan-2-yl)-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

Catalog ID
STK014836
SMILES OCC(C(C(C1N2CC3(CN1CC(C2)(C3=O)C(C)C)C(C)C)O)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 C18H32N2O5 MW 356.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H32N2O5/c1-10(2)17-6-19-8-18(11(3)4,16(17)25)9-20(7-17)15(19)14(24)13(23)12(22)5-21/h10-15,21-24H,5-9H2,1-4H3
InChIKey
AAPGTVLJFQIDHP-UHFFFAOYSA-N
Synonyms
473562-50-4
(5s7s)57diisopropyl2(1234tetrahydroxybutyl)13diazaadamantan6one
473562504
57di(propan2yl)2(1234tetrahydroxybutyl)13diazatricyclo(3311~37~)decan6one
CC(C)C12CN3CC(C1=O)(CN(C2)C3C(C(C(CO)O)O)O)C(C)C
InChI=1SC18H32N2O5c110(2)17619818(11(3)416(17)25)920(717)15(19)14(24)13(23)12(22)521h10152124H59H214H3
MFCD01996128
OCC(C(C(C1N2C(C@)3(CN1C(C@@)(C2)(C3=O)C(C)C)C(C)C)O)O)O
OCC(C(C(C1N2CC3(CN1CC(C2)(C3=O)C(C)C)C(C)C)O)O)O
STK014836
ZINC000019323147
ZINC000019331350

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Available files

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