Vitas-M small molecule compound
(2E)-3-(4-tert-butylphenyl)-1-(3,5-dimethyl-1H-pyrazol-1-yl)prop-2-en-1-one
Catalog ID
STK376318
SMILES Cc1nn(c(c1)C)C(=O)/C=C/c1ccc(cc1)C(C)(C)C
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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 C18H22N2O MW 282.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O/c1-13-12-14(2)20(19-13)17(21)11-8-15-6-9-16(10-7-15)18(3,4)5/h6-12H,1-5H3/b11-8+InChIKey
UYNMYNHYMVEPNN-DHZHZOJOSA-NSynonyms
(2E)3(4(TERTBUTYL)PHENYL)1(35DIMETHYLPYRAZOLYL)PROP2EN1ONE
(2E)3(4tertbutylphenyl)1(35dimethyl1Hpyrazol1yl)prop2en1one
(E)3(4TERTBUTYLPHENYL)1(35DIMETHYLPYRAZOL1YL)PROP2EN1ONE
CC1=CC(=NN1C(=O)C=CC2=CC=C(C=C2)C(C)(C)C)C
Cc1nn(c(c1)C)C(=O)C=Cc1ccc(cc1)C(C)(C)C
InChI=1SC18H22N2Oc1131214(2)20(1913)17(21)118156916(10715)18(34)5h612H15H3b118+
MFCD01357800
ZINC000004156266
ZINC04156266
ZINC4156266
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