Vitas-M small molecule compound
dimethyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STL237456
SMILES COC(=O)C1C(=O)CC(C(C1c1ccc(cc1)N(CC)CC)C(=O)OC)(C)O
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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 C21H29NO6 MW 391.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO6/c1-6-22(7-2)14-10-8-13(9-11-14)16-17(19(24)27-4)15(23)12-21(3,26)18(16)20(25)28-5/h8-11,16-18,26H,6-7,12H2,1-5H3InChIKey
TZEQFQFMQZLVJN-UHFFFAOYSA-NSynonyms
471259-33-3471259333
CCN(CC)C1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OC)(C)O)C(=O)OC
DIMETHYL(1R2S3R4S)2(4(DIETHYLAMINO)PHENYL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
DIMETHYL2(4(DIETHYLAMINO)PHENYL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
dimethyl2(4(diethylamino)phenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC21H29NO6c1622(72)1410813(91114)1617(19(24)274)15(23)1221(326)18(16)20(25)285h811161826H6712H215H3
MFCD01541656
ZINC000004003925
ZINC000239415193
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