Vitas-M small molecule compound
3-[(4Z)-4-(3-bromo-4-ethoxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]propanenitrile
Catalog ID
STK958869
SMILES N#CCCN1N=C(/C(=C/c2cc(Br)c(c(c2)OC)OCC)/C1=O)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 C17H18BrN3O3 MW 392.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrN3O3/c1-4-24-16-14(18)9-12(10-15(16)23-3)8-13-11(2)20-21(17(13)22)7-5-6-19/h8-10H,4-5,7H2,1-3H3/b13-8-InChIKey
JUOJBNSPGXXVAB-JYRVWZFOSA-NSynonyms
3((4Z)4((3BROMO4ETHOXY5METHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)PROPANENITRILE
3((4Z)4(3bromo4ethoxy5methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)propanenitrile
3(4(3BROMO4ETHOXY5METHOXYBENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)PROPANENITRILE
CCOC1=C(C=C(C=C1Br)C=C2C(=NN(C2=O)CCC#N)C)OC
InChI=1SC17H18BrN3O3c14241614(18)912(1015(16)233)81311(2)2021(17(13)22)75619h810H457H213H3b138
MFCD02605771
N#CCCN1N=C(C(=Cc2cc(Br)c(c(c2)OC)OCC)C1=O)C
ZINC000004614456
ZINC04614456
ZINC4614456
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