Vitas-M small molecule compound

1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl acetate

Catalog ID
STK366168
SMILES CC(=O)OC(C(Cl)(Cl)Cl)CC(=O)c1ccc(cc1)[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 C12H10Cl3NO5 MW 354.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10Cl3NO5/c1-7(17)21-11(12(13,14)15)6-10(18)8-2-4-9(5-3-8)16(19)20/h2-5,11H,6H2,1H3
InChIKey
VJYNFHDRZABBIO-UHFFFAOYSA-N
Synonyms

(111TRICHLORO4(4NITROPHENYL)4OXOBUTAN2YL)ACETATE
111trichloro4(4nitrophenyl)4oxobutan2ylacetate
2ACETOXY111TRICHLORO4(4NITROPHENYL)4BUTANONE
3(4NITROPHENYL)3OXO1(TRICHLOROMETHYL)PROPYLACETATE
CC(=O)OC(C(Cl)(Cl)Cl)CC(=O)c1ccc(cc1)(N+)(=O)(O)
CC(=O)OC(CC(=O)C1=CC=C(C=C1)(N+)(=O)(O))C(Cl)(Cl)Cl
InChI=1SC12H10Cl3NO5c17(17)2111(12(1314)15)610(18)8249(538)16(19)20h2511H6H21H3
MFCD00416696
ZINC000003154517
ZINC000003154518

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Available files

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