Vitas-M small molecule compound
diethyl 2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK868203
SMILES CCOC(=O)C1C(=O)CC(C(C1c1ccc(cc1)Br)C(=O)OCC)(C)O
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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 C19H23BrO6 MW 427.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23BrO6/c1-4-25-17(22)15-13(21)10-19(3,24)16(18(23)26-5-2)14(15)11-6-8-12(20)9-7-11/h6-9,14-16,24H,4-5,10H2,1-3H3InChIKey
NTNFVQUAJMSDFP-UHFFFAOYSA-NSynonyms
4759-57-34759573
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)Br
DIETHYL(1R2S3S4S)2(4BROMOPHENYL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
diethyl2(4bromophenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC19H23BrO6c142517(22)1513(21)1019(324)16(18(23)2652)14(15)116812(20)9711h69141624H4510H213H3
MFCD00521058
ZINC000006553012
ZINC000013154660
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