Vitas-M small molecule compound
2,2'-[(2-methoxynaphthalen-1-yl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Catalog ID
STL427034
SMILES COc1ccc2c(c1C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(C)C)cccc2
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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 C28H32O5 MW 448.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32O5/c1-27(2)12-18(29)24(19(30)13-27)26(25-20(31)14-28(3,4)15-21(25)32)23-17-9-7-6-8-16(17)10-11-22(23)33-5/h6-11,26,29,31H,12-15H2,1-5H3InChIKey
SGVZIVZKDURNPV-UHFFFAOYSA-NSynonyms
22((2methoxynaphthalen1yl)methanediyl)bis(3hydroxy55dimethylcyclohex2en1one)
3hydroxy2((2hydroxy44dimethyl6oxocyclohexen1yl)(2methoxynaphthalen1yl)methyl)55dimethylcyclohex2en1one
CC1(CC(=C(C(=O)C1)C(C2=C(CC(CC2=O)(C)C)O)C3=C(C=CC4=CC=CC=C43)OC)O)C
InChI=1SC28H32O5c127(2)1218(29)24(19(30)1327)26(2520(31)1428(34)1521(25)32)2317976816(17)101122(23)335h611262931H1215H215H3
MFCD08575806
ZINC000103721190
ZINC103721190
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