Vitas-M small molecule compound
2-{[4-(diethylamino)-2-hydroxyphenyl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK076728
SMILES CCN(c1ccc(c(c1)O)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 C27H37NO5 MW 455.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO5/c1-7-28(8-2)16-9-10-17(18(29)11-16)23(24-19(30)12-26(3,4)13-20(24)31)25-21(32)14-27(5,6)15-22(25)33/h9-11,23-24,29,32H,7-8,12-15H2,1-6H3InChIKey
MVNOLHGVVSZGBJ-UHFFFAOYSA-NSynonyms
2((4(DIETHYLAMINO)2HYDROXYPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((4(DIETHYLAMINO)2HYDROXYPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((4(DIETHYLAMINO)2HYDROXYPHENYL)(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
CCN(c1ccc(c(c1)O)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C)CC
CCN(CC)C1=CC(=C(C=C1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O)O
InChI=1SC27H37NO5c1728(82)1691017(18(29)1116)23(2419(30)1226(34)1320(24)31)2521(32)1427(56)1522(25)33h91123242932H781215H216H3
MFCD00556719
STK076728
ZINC000100007345
ZINC000100007347
Check stock
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Check stock on Vitas-MAvailable files
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