Vitas-M small molecule compound

4,4-dimethyl-3-(4-nitrophenyl)-2-oxaspiro[5.5]undecane-1,5-dione

Catalog ID
STK764003
SMILES [O-][N+](=O)c1ccc(cc1)C1OC(=O)C2(C(=O)C1(C)C)CCCCC2

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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 C18H21NO5 MW 331.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5/c1-17(2)14(12-6-8-13(9-7-12)19(22)23)24-16(21)18(15(17)20)10-4-3-5-11-18/h6-9,14H,3-5,10-11H2,1-2H3
InChIKey
DCBYTFPBLDSSNE-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1)C1OC(=O)C2(C(=O)C1(C)C)CCCCC2
2OXASPIRO(55)UNDECANE15DIONE44DIMETHYL3(4NITROPHENYL)
44dimethyl3(4nitrophenyl)2oxaspiro(55)undecane15dione
88DIMETHYL9(4NITROPHENYL)10OXASPIRO(55)UNDECANE711DIONE
CC1(C(OC(=O)C2(C1=O)CCCCC2)C3=CC=C(C=C3)(N+)(=O)(O))C
InChI=1SC18H21NO5c117(2)14(126813(9712)19(22)23)2416(21)18(15(17)20)104351118h6914H351011H212H3
MFCD02233156
ZINC000000053652
ZINC000000053653

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Available files

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