Vitas-M small molecule compound
2,2'-{[2-(benzyloxy)phenyl]methanediyl}bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Catalog ID
STL426963
SMILES OC1=C(C(=O)CC(C1)(C)C)C(c1ccccc1OCc1ccccc1)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 C30H34O5 MW 474.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34O5/c1-29(2)14-21(31)27(22(32)15-29)26(28-23(33)16-30(3,4)17-24(28)34)20-12-8-9-13-25(20)35-18-19-10-6-5-7-11-19/h5-13,26,31,33H,14-18H2,1-4H3InChIKey
QOZOHJIZEYDLLH-UHFFFAOYSA-NSynonyms
22((2(benzyloxy)phenyl)methanediyl)bis(3hydroxy55dimethylcyclohex2en1one)
3hydroxy2((2hydroxy44dimethyl6oxocyclohexen1yl)(2phenylmethoxyphenyl)methyl)55dimethylcyclohex2en1one
CC1(CC(=C(C(=O)C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)O)O)C
InChI=1SC30H34O5c129(2)1421(31)27(22(32)1529)26(2823(33)1630(34)1724(28)34)2012891325(20)351819106571119h513263133H1418H214H3
MFCD06194870
ZINC000103561733
ZINC103561733
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