Vitas-M small molecule compound
5,5-dimethyl-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}cyclohexane-1,3-dione
Catalog ID
STK820888
SMILES O=C1CC(C)(C)CC(=O)C1=Cc1cn(nc1c1cccs1)c1ccccc1
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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 C22H20N2O2S MW 376.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O2S/c1-22(2)12-18(25)17(19(26)13-22)11-15-14-24(16-7-4-3-5-8-16)23-21(15)20-9-6-10-27-20/h3-11,14H,12-13H2,1-2H3InChIKey
DJFUACMCJHXMEC-UHFFFAOYSA-NSynonyms
312601-85-7312601857
55DIMETHYL2((1PHENYL3(2THIENYL)1HPYRAZOL4YL)METHYLENE)13CYCLOHEXANEDIONE
55dimethyl2((1phenyl3(thiophen2yl)1Hpyrazol4yl)methylene)cyclohexane13dione
55dimethyl2((1phenyl3(thiophen2yl)1Hpyrazol4yl)methylidene)cyclohexane13dione
55DIMETHYL2((1PHENYL3THIOPHEN2YLPYRAZOL4YL)METHYLIDENE)CYCLOHEXANE13DIONE
CC1(CC(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)C1)C
InChI=1SC22H20N2O2Sc122(2)1218(25)17(19(26)1322)11151424(167435816)2321(15)2096102720h31114H1213H212H3
MFCD01949251
ZINC000000703591
ZINC00703591
ZINC703591
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