Vitas-M small molecule compound

2,2'-[(4-bromophenyl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)

Catalog ID
STK150139
SMILES Brc1ccc(cc1)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(13-5-7-14(24)8-6-13)21-17(27)11-23(3,4)12-18(21)28/h5-8,19,25,27H,9-12H2,1-4H3
InChIKey
ADGQZNVEYUIKPL-UHFFFAOYSA-N
Synonyms
298207-25-7
2((4BROMOPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE
22((4BROMOPHENYL)METHANEDIYL)BIS(3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE)
22(4BROMOBENZYLIDENE)BIS(3HYDROXY55DIMETHYL2CYCLOHEXENE1ONE)
298207257
CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)Br)C3=C(CC(CC3=O)(C)C)O)O)C
InChI=1SC23H27BrO4c122(2)915(25)20(16(26)1022)19(135714(24)8613)2117(27)1123(34)1218(21)28h58192527H912H214H3
MFCD00708187
ZINC000101069147
ZINC101069147

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Available files

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