Vitas-M small molecule compound
2,2'-[(3-bromophenyl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Catalog ID
STL426958
SMILES Brc1cccc(c1)C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(C)C
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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 C23H27BrO4 MW 447.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27BrO4/c1-22(2)9-15(25)20(16(26)10-22)19(13-6-5-7-14(24)8-13)21-17(27)11-23(3,4)12-18(21)28/h5-8,19,25,27H,9-12H2,1-4H3InChIKey
KOSHQQPAOMKJDC-UHFFFAOYSA-NSynonyms
2((3BROMOPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE
22((3bromophenyl)methanediyl)bis(3hydroxy55dimethylcyclohex2en1one)
CC1(CC(=C(C(=O)C1)C(C2=CC(=CC=C2)Br)C3=C(CC(CC3=O)(C)C)O)O)C
InChI=1SC23H27BrO4c122(2)915(25)20(16(26)1022)19(1365714(24)813)2117(27)1123(34)1218(21)28h58192527H912H214H3
MFCD01447242
ZINC000004391233
ZINC4391233
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