Vitas-M small molecule compound
4-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Catalog ID
STK535014
SMILES COc1cccc(c1OC)C1CC(=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/c1-28-18-5-3-4-15(21(18)29-2)17-12-16(13-6-8-14(22)9-7-13)23-24(17)19(25)10-11-20(26)27/h3-9,17H,10-12H2,1-2H3,(H,26,27)InChIKey
NSLVKEWFRQMKIN-UHFFFAOYSA-NSynonyms
335398-96-4335398964
4(3(4bromophenyl)5(23dimethoxyphenyl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
4(5(23DIMETHOXYPHENYL)3(4BROMOPHENYL)(2PYRAZOLINYL))4OXOBUTANOICACID
4(5(4BROMOPHENYL)3(23DIMETHOXYPHENYL)34DIHYDROPYRAZOL2YL)4OXOBUTANOICACID
COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br
InChI=1SC21H21BrN2O5c1281853415(21(18)292)171216(136814(22)9713)2324(17)19(25)101120(26)27h3917H1012H212H3(H2627)
MFCD02733324
ZINC000000868458
ZINC000000868459
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