Vitas-M small molecule compound

methyl [(2-cyclohexyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl)amino](3,4-dimethoxyphenyl)acetate

Catalog ID
STK072448
SMILES COC(=O)C(c1ccc(c(c1)OC)OC)NC1N(C2CCCCC2)C(=O)C2=C1CCCC2

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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 C25H34N2O5 MW 442.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N2O5/c1-30-20-14-13-16(15-21(20)31-2)22(25(29)32-3)26-23-18-11-7-8-12-19(18)24(28)27(23)17-9-5-4-6-10-17/h13-15,17,22-23,26H,4-12H2,1-3H3
InChIKey
NVIRVLKCEMVQSW-UHFFFAOYSA-N
Synonyms

COC(=O)C(c1ccc(c(c1)OC)OC)NC1N(C2CCCCC2)C(=O)C2=C1CCCC2
COC1=C(C=C(C=C1)C(C(=O)OC)NC2C3=C(CCCC3)C(=O)N2C4CCCCC4)OC
InChI=1SC25H34N2O5c13020141316(1521(20)312)22(25(29)323)26231811781219(18)24(28)27(23)1795461017h131517222326H412H213H3
methyl((2cyclohexyl3oxo234567hexahydro1Hisoindol1yl)amino)(34dimethoxyphenyl)acetate
methyl2((2cyclohexyl3oxo4567tetrahydro1Hisoindol1yl)amino)2(34dimethoxyphenyl)acetate
MFCD09960064
STK072448
ZINC000013898828
ZINC000020149709

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Available files

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