Vitas-M small molecule compound

ethyl [1,5-dimethyl-9-oxo-7-(propylcarbamothioyl)-3,7-diazabicyclo[3.3.1]non-3-yl](oxo)acetate

Catalog ID
STK085400
SMILES CCCNC(=S)N1CC2(C)CN(CC(C1)(C2=O)C)C(=O)C(=O)OCC

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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 C17H27N3O4S MW 369.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H27N3O4S/c1-5-7-18-15(25)20-10-16(3)8-19(12(21)13(22)24-6-2)9-17(4,11-20)14(16)23/h5-11H2,1-4H3,(H,18,25)
InChIKey
KPEVFXADFAACGS-UHFFFAOYSA-N
Synonyms
303051-18-5
303051185
CCCNC(=S)N1CC2(C)CN(CC(C1)(C2=O)C)C(=O)C(=O)OCC
CCCNC(=S)N1CC2(CN(CC(C1)(C2=O)C)C(=O)C(=O)OCC)C
ETHYL(15DIMETHYL9OXO7(PROPYLCARBAMOTHIOYL)37DIAZABICYCLO(331)NON3YL)(OXO)ACETATE
ethyl2((1R5S)15dimethyl9oxo7(propylcarbamothioyl)37diazabicyclo(331)nonan3yl)2oxoacetate
ETHYL2(15DIMETHYL9OXO3(PROPYLCARBAMOTHIOYL)37DIAZABICYCLO(331)NONAN7YL)2OXOACETATE
ETHYL2(15DIMETHYL9OXO7((PROPYLAMINO)THIOXOMETHYL)37DIAZABICYCLO(331)NON3YL)2OXOACETATE
InChI=1SC17H27N3O4Sc1571815(25)201016(3)819(12(21)13(22)2462)917(41120)14(16)23h511H214H3(H1825)
MFCD00698305
STK085400
ZINC000013544415

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.