Vitas-M small molecule compound

diethyl 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STK392529
SMILES CCOC(=O)C1C(=O)CC(C(C1c1ccc(cc1)N(C)C)C(=O)OCC)(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/c1-6-27-19(24)17-15(23)12-21(3,26)18(20(25)28-7-2)16(17)13-8-10-14(11-9-13)22(4)5/h8-11,16-18,26H,6-7,12H2,1-5H3
InChIKey
QUSPUJJUTGSQHE-UHFFFAOYSA-N
Synonyms
79988-77-5
79988775
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)N(C)C
DIETHYL(1S2R3R4R)2(4(DIMETHYLAMINO)PHENYL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
DIETHYL2(4(DIMETHYLAMINO)PHENYL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
diethyl2(4(dimethylamino)phenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
DIETHYL2(4DIMETHYLAMINOPHENYL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
InChI=1SC21H29NO6c162719(24)1715(23)1221(326)18(20(25)2872)16(17)1381014(11913)22(4)5h811161826H6712H215H3
MFCD00521059
ZINC000000826330
ZINC000013511383

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Available files

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