Vitas-M small molecule compound
(4Z)-4-(2-bromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK958372
SMILES CCOc1cc(/C=C\2/C(=NN(C2=O)c2cccc(c2)C)C)c(cc1OC)Br
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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 C21H21BrN2O3 MW 429.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O3/c1-5-27-20-11-15(18(22)12-19(20)26-4)10-17-14(3)23-24(21(17)25)16-8-6-7-13(2)9-16/h6-12H,5H2,1-4H3/b17-10-InChIKey
VFRLPGSMPNRWSP-YVLHZVERSA-NSynonyms
(4Z)4((2BROMO5ETHOXY4METHOXYPHENYL)METHYLIDENE)5METHYL2(3METHYLPHENYL)PYRAZOL3ONE
(4Z)4(2bromo5ethoxy4methoxybenzylidene)5methyl2(3methylphenyl)24dihydro3Hpyrazol3one
4(2BROMO5ETHOXY4METHOXYBENZYLIDENE)5METHYL2(3METHYLPHENYL)24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C=C(C(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C)C)Br)OC
CCOc1cc(C=C2C(=NN(C2=O)c2cccc(c2)C)C)c(cc1OC)Br
InChI=1SC21H21BrN2O3c1527201115(18(22)1219(20)264)101714(3)2324(21(17)25)1686713(2)916h612H5H214H3b1710
MFCD01835485
ZINC000000671209
ZINC00671209
ZINC671209
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