Vitas-M small molecule compound

di-tert-butyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STK547837
SMILES CCN(c1ccc(cc1)C1C(C(=O)OC(C)(C)C)C(=O)CC(C1C(=O)OC(C)(C)C)(C)O)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 C27H41NO6 MW 475.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41NO6/c1-10-28(11-2)18-14-12-17(13-15-18)20-21(23(30)33-25(3,4)5)19(29)16-27(9,32)22(20)24(31)34-26(6,7)8/h12-15,20-22,32H,10-11,16H2,1-9H3
InChIKey
GDMXHLPZGJWNNT-UHFFFAOYSA-N
Synonyms
1024129-36-9
1024129369
CCN(CC)C1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OC(C)(C)C)(C)O)C(=O)OC(C)(C)C
ditertbutyl2(4(diethylamino)phenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC27H41NO6c11028(112)18141217(131518)2021(23(30)3325(34)5)19(29)1627(932)22(20)24(31)3426(67)8h1215202232H101116H219H3
MFCD02161383
ZINC000002360743
ZINC000239305879

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Available files

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