Vitas-M small molecule compound

4,4,4-trichloro-3-(1H-imidazol-1-yl)-1-(4-nitrophenyl)butan-1-one

Catalog ID
STK548757
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CC(C(Cl)(Cl)Cl)n1cncc1

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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 C13H10Cl3N3O3 MW 362.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10Cl3N3O3/c14-13(15,16)12(18-6-5-17-8-18)7-11(20)9-1-3-10(4-2-9)19(21)22/h1-6,8,12H,7H2
InChIKey
OJWNZZKHUHBIDN-UHFFFAOYSA-N
Synonyms
317336-00-8
317336008
444trichloro3(1Himidazol1yl)1(4nitrophenyl)butan1one
444TRICHLORO3IMIDAZOL1YL1(4NITROPHENYL)BUTAN1ONE
C1=CC(=CC=C1C(=O)CC(C(Cl)(Cl)Cl)N2C=CN=C2)(N+)(=O)(O)
InChI=1SC13H10Cl3N3O3c1413(1516)12(186517818)711(20)91310(429)19(21)22h16812H7H2
MFCD00409471
O=C(c1ccc(cc1)(N+)(=O)(O))CC(C(Cl)(Cl)Cl)n1cncc1
ZINC000002367011
ZINC000013618798

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Available files

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