Vitas-M small molecule compound

4-ethyl-2-(4-iodophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STL507434
SMILES CCc1c(C)[nH]n(c1=O)c1ccc(cc1)I

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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 C12H13IN2O MW 328.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13IN2O/c1-3-11-8(2)14-15(12(11)16)10-6-4-9(13)5-7-10/h4-7,14H,3H2,1-2H3
InChIKey
BXEWLKXINAFWSB-UHFFFAOYSA-N
Synonyms

4ETHYL1(4IODOPHENYL)3METHYLPYRAZOL5OL
4ethyl2(4iodophenyl)5methyl1~(H)pyrazol3one
4ethyl2(4iodophenyl)5methyl12dihydro3Hpyrazol3one
4ETHYL2(4IODOPHENYL)5METHYL1HPYRAZOL3ONE
4ETHYL2(4IODOPHENYL)5METHYL2HPYRAZOL3OL
805565
InChI=1SC12H13IN2Oc13118(2)1415(12(11)16)10649(13)5710h4714H3H212H3
MFCD31615129
ZINC000006519502
ZINC100164316

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.