Vitas-M small molecule compound
2,2'-{[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methanediyl}bis(5,5-dimethylcyclohexane-1,3-dione)
Catalog ID
STK570382
SMILES COc1ccc(cc1CN1CCOCC1)C(C1C(=O)CC(CC1=O)(C)C)C1C(=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 C29H39NO6 MW 497.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO6/c1-28(2)13-20(31)26(21(32)14-28)25(27-22(33)15-29(3,4)16-23(27)34)18-6-7-24(35-5)19(12-18)17-30-8-10-36-11-9-30/h6-7,12,25-27H,8-11,13-17H2,1-5H3InChIKey
DSEWADCULYZTIM-UHFFFAOYSA-NSynonyms
339347-51-22((44DIMETHYL26DIOXOCYCLOHEXYL)(4METHOXY3(MORPHOLIN4YLMETHYL)PHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
22((4methoxy3(morpholin4ylmethyl)phenyl)methanediyl)bis(55dimethylcyclohexane13dione)
22((4methoxy3(morpholinomethyl)phenyl)methylene)bis(55dimethylcyclohexane13dione)
339347512
CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)CN4CCOCC4)C
InChI=1SC29H39NO6c128(2)1320(31)26(21(32)1428)25(2722(33)1529(34)1623(27)34)186724(355)19(1218)17308103611930h67122527H8111317H215H3
MFCD00314050
ZINC000101264679
ZINC101264679
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