Vitas-M small molecule compound

(2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-4,4-dimethyl-3-oxopentanenitrile

Catalog ID
STK481671
SMILES N#C/C(=C\c1ccc(c(c1)Cn1nc(c(c1C)Br)C)OC)/C(=O)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 C21H24BrN3O2 MW 430.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrN3O2/c1-13-19(22)14(2)25(24-13)12-17-10-15(7-8-18(17)27-6)9-16(11-23)20(26)21(3,4)5/h7-10H,12H2,1-6H3/b16-9+
InChIKey
CMFDRQJLCKZETQ-CXUHLZMHSA-N
Synonyms

(2E)2((3((4bromo35dimethylpyrazol1yl)methyl)4methoxyphenyl)methylidene)44dimethyl3oxopentanenitrile
(2E)2(22DIMETHYLPROPANOYL)3(3((4BROMO35DIMETHYLPYRAZOLYL)METHYL)4METHOXYPHENYL)PROP2ENENITRILE
(2E)2(3((4bromo35dimethyl1Hpyrazol1yl)methyl)4methoxybenzylidene)44dimethyl3oxopentanenitrile
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=C(C#N)C(=O)C(C)(C)C)OC)C)Br
InChI=1SC21H24BrN3O2c11319(22)14(2)25(2413)12171015(7818(17)276)916(1123)20(26)21(34)5h710H12H216H3b169+
MFCD07033604
N#CC(=Cc1ccc(c(c1)Cn1nc(c(c1C)Br)C)OC)C(=O)C(C)(C)C
ZINC000013322233
ZINC13322233

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Available files

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