Vitas-M small molecule compound
4,4,4-trichloro-1-(4-nitrophenyl)-3-(1H-1,2,4-triazol-1-yl)butan-1-one
Catalog ID
STK836846
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CC(C(Cl)(Cl)Cl)n1ncnc1
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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 C12H9Cl3N4O3 MW 363.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9Cl3N4O3/c13-12(14,15)11(18-7-16-6-17-18)5-10(20)8-1-3-9(4-2-8)19(21)22/h1-4,6-7,11H,5H2InChIKey
HLTWPMQNWUKOKL-UHFFFAOYSA-NSynonyms
371954-95-9(3R)444TRICHLORO1(4NITROPHENYL)3(1H124TRIAZOL1YL)BUTAN1ONE
(3S)444TRICHLORO1(4NITROPHENYL)3(1H124TRIAZOL1YL)BUTAN1ONE
371954959
444TRICHLORO1(4NITROPHENYL)3(124TRIAZOL1YL)BUTAN1ONE
444trichloro1(4nitrophenyl)3(1H124triazol1yl)butan1one
C1=CC(=CC=C1C(=O)CC(C(Cl)(Cl)Cl)N2C=NC=N2)(N+)(=O)(O)
InChI=1SC12H9Cl3N4O3c1312(1415)11(1871661718)510(20)8139(428)19(21)22h146711H5H2
MFCD00406704
O=C(c1ccc(cc1)(N+)(=O)(O))CC(C(Cl)(Cl)Cl)n1ncnc1
ZINC000001228692
ZINC000001228693
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