Vitas-M small molecule compound
2,2'-({4-[(2-fluorobenzyl)oxy]phenyl}methanediyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Catalog ID
STK009351
SMILES OC1=C(C(=O)CC(C1)(C)C)C(C1=C(O)CC(CC1=O)(C)C)c1ccc(cc1)OCc1ccccc1F
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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 C30H33FO5 MW 492.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33FO5/c1-29(2)13-22(32)27(23(33)14-29)26(28-24(34)15-30(3,4)16-25(28)35)18-9-11-20(12-10-18)36-17-19-7-5-6-8-21(19)31/h5-12,26,32,34H,13-17H2,1-4H3InChIKey
SGCKYCQIPQBWGE-UHFFFAOYSA-NSynonyms
2((4((2FLUOROPHENYL)METHOXY)PHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE
22((4((2FLUOROBENZYL)OXY)PHENYL)METHANEDIYL)BIS(3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE)
CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3F)C4=C(CC(CC4=O)(C)C)O)O)C
InChI=1SC30H33FO5c129(2)1322(32)27(23(33)1429)26(2824(34)1530(34)1625(28)35)1891120(121018)361719756821(19)31h512263234H1317H214H3
MFCD06194872
OC1=C(C(=O)CC(C1)(C)C)C(C1=C(O)CC(CC1=O)(C)C)c1ccc(cc1)OCc1ccccc1F
STK009351
ZINC000008958937
ZINC08958937
ZINC8958937
Check stock
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Check stock on Vitas-MAvailable files
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