Vitas-M small molecule compound
dimethyl [1-(4-bromophenyl)-2-methyl-3-(4-methylphenyl)-3-oxopropyl]propanedioate
Catalog ID
STK683210
SMILES COC(=O)C(C(C(C(=O)c1ccc(cc1)C)C)c1ccc(cc1)Br)C(=O)OC
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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 C22H23BrO5 MW 447.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrO5/c1-13-5-7-16(8-6-13)20(24)14(2)18(15-9-11-17(23)12-10-15)19(21(25)27-3)22(26)28-4/h5-12,14,18-19H,1-4H3InChIKey
GEFAUBHMESLLAT-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C(=O)C(C)C(C2=CC=C(C=C2)Br)C(C(=O)OC)C(=O)OC
DIMETHYL(1(4BROMOPHENYL)2METHYL3(4METHYLPHENYL)3OXOPROPYL)PROPANEDIOATE
DIMETHYL2(1(4BROMOPHENYL)2METHYL3(4METHYLPHENYL)3OXOPROPYL)PROPANEDIOATE
InChI=1SC22H23BrO5c1135716(8613)20(24)14(2)18(1591117(23)121015)19(21(25)273)22(26)284h512141819H14H3
MFCD05257046
ZINC000015318949
ZINC000015318959
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