Vitas-M small molecule compound

5,5-dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione

Catalog ID
STL325767
SMILES O=C(C1C(=O)CC(CC1=O)(C)C)Cc1ccccc1[N+](=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 C16H17NO5 MW 303.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO5/c1-16(2)8-13(19)15(14(20)9-16)12(18)7-10-5-3-4-6-11(10)17(21)22/h3-6,15H,7-9H2,1-2H3
InChIKey
BUTJQHLFOBATMI-UHFFFAOYSA-N
Synonyms
372083-72-2
372083722
55dimethyl2((2nitrophenyl)acetyl)cyclohexane13dione
55DIMETHYL2(2(2NITROPHENYL)ACETYL)CYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(=O)CC2=CC=CC=C2(N+)(=O)(O))C
InChI=1SC16H17NO5c116(2)813(19)15(14(20)916)12(18)710534611(10)17(21)22h3615H79H212H3
MFCD00226357
O=C(C1C(=O)CC(CC1=O)(C)C)Cc1ccccc1(N+)(=O)(O)
ZINC000100705796
ZINC100705796

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Available files

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