Vitas-M small molecule compound
2-(4-nitrophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Catalog ID
STK722532
SMILES CC(C12CN3CC(C2=O)(CN(C1)C3c1ccc(cc1)[N+](=O)[O-])C(C)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 C20H27N3O3 MW 357.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3/c1-13(2)19-9-21-11-20(14(3)4,18(19)24)12-22(10-19)17(21)15-5-7-16(8-6-15)23(25)26/h5-8,13-14,17H,9-12H2,1-4H3InChIKey
KYKCPKALZJKYQZ-UHFFFAOYSA-NSynonyms
306966-91-6(1r3r5r7r)57diisopropyl2(4nitrophenyl)13diazaadamantan6one
2(4nitrophenyl)57di(propan2yl)13diazatricyclo(3311~37~)decan6one
306966916
CC(C)C12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)(N+)(=O)(O))C(C)C
CC(C12CN3CC(C2=O)(CN(C1)(C@@H)3c1ccc(cc1)(N+)(=O)(O))C(C)C)C
CC(C12CN3CC(C2=O)(CN(C1)C3c1ccc(cc1)(N+)(=O)(O))C(C)C)C
InChI=1SC20H27N3O3c113(2)199211120(14(3)418(19)24)1222(1019)17(21)155716(8615)23(25)26h58131417H912H214H3
MFCD02029985
ZINC000019318756
ZINC19318756
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