Vitas-M small molecule compound
4-[3-(4-bromophenyl)-5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Catalog ID
STL330655
SMILES COc1cc(OC)ccc1C1CC(=NN1C(=O)CCC(=O)O)c1ccc(cc1)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 C21H21BrN2O5 MW 461.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O5/c1-28-15-7-8-16(19(11-15)29-2)18-12-17(13-3-5-14(22)6-4-13)23-24(18)20(25)9-10-21(26)27/h3-8,11,18H,9-10,12H2,1-2H3,(H,26,27)InChIKey
COJFATAOPJMTAW-UHFFFAOYSA-NSynonyms
381699-01-0381699010
4(3(4bromophenyl)5(24dimethoxyphenyl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
4(5(4BROMOPHENYL)3(24DIMETHOXYPHENYL)34DIHYDROPYRAZOL2YL)4OXOBUTANOICACID
COC1=CC(=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br)OC
InChI=1SC21H21BrN2O5c128157816(19(1115)292)181217(133514(22)6413)2324(18)20(25)91021(26)27h381118H91012H212H3(H2627)
MFCD02997319
ZINC000013810274
ZINC000013810275
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