Vitas-M small molecule compound
2-{[4-(diethylamino)phenyl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK730904
SMILES CCN(c1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C)CC
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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 C27H37NO4 MW 439.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO4/c1-7-28(8-2)18-11-9-17(10-12-18)23(24-19(29)13-26(3,4)14-20(24)30)25-21(31)15-27(5,6)16-22(25)32/h9-12,23-24,31H,7-8,13-16H2,1-6H3InChIKey
CPMIXIKPSVXRPS-UHFFFAOYSA-NSynonyms
2((4(DIETHYLAMINO)PHENYL)(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE
2((4(diethylamino)phenyl)(2hydroxy44dimethyl6oxocyclohex1en1yl)methyl)55dimethylcyclohexane13dione
2((4(DIETHYLAMINO)PHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((S)(4(DIETHYLAMINO)PHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2(4(DIETHYLAMINO)A(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)BENZYL)55DIMETHYL13CYCLOHEXANEDIONE
CCN(CC)C1=CC=C(C=C1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O
InChI=1SC27H37NO4c1728(82)1811917(101218)23(2419(29)1326(34)1420(24)30)2521(31)1527(56)1622(25)32h912232431H781316H216H3
MFCD00289196
ZINC000100034327
ZINC000100034331
Check stock
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Check stock on Vitas-MAvailable files
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