Vitas-M small molecule compound
2,2'-({2-[(4-chlorobenzyl)oxy]phenyl}methanediyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Catalog ID
STK520720
SMILES Clc1ccc(cc1)COc1ccccc1C(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 C30H33ClO5 MW 509.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33ClO5/c1-29(2)13-21(32)27(22(33)14-29)26(28-23(34)15-30(3,4)16-24(28)35)20-7-5-6-8-25(20)36-17-18-9-11-19(31)12-10-18/h5-12,26,32,34H,13-17H2,1-4H3InChIKey
XWGJINNVCKHVKL-UHFFFAOYSA-NSynonyms
2((2((4CHLOROPHENYL)METHOXY)PHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE
22((2((4CHLOROBENZYL)OXY)PHENYL)METHANEDIYL)BIS(3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE)
CC1(CC(=C(C(=O)C1)C(C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)C4=C(CC(CC4=O)(C)C)O)O)C
InChI=1SC30H33ClO5c129(2)1321(32)27(22(33)1429)26(2823(34)1530(34)1624(28)35)20756825(20)36171891119(31)121018h512263234H1317H214H3
ZINC10131222
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