Vitas-M small molecule compound

3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-5,5-dimethyl-2-pentanoylcyclohex-2-en-1-one

Catalog ID
STK681268
SMILES CCCCC(=O)C1=C(NCCc2ccc(c(c2)OCC)OCC)CC(CC1=O)(C)C

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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 C25H37NO4 MW 415.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37NO4/c1-6-9-10-20(27)24-19(16-25(4,5)17-21(24)28)26-14-13-18-11-12-22(29-7-2)23(15-18)30-8-3/h11-12,15,26H,6-10,13-14,16-17H2,1-5H3
InChIKey
ADUMWIHFAYEPAZ-UHFFFAOYSA-N
Synonyms

3((2(34diethoxyphenyl)ethyl)amino)55dimethyl2pentanoylcyclohex2en1one
3(2(34DIETHOXYPHENYL)ETHYLAMINO)55DIMETHYL2PENTANOYLCYCLOHEX2EN1ONE
CCCCC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=CC(=C(C=C2)OCC)OCC
InChI=1SC25H37NO4c1691020(27)2419(1625(45)1721(24)28)26141318111222(2972)23(1518)3083h11121526H61013141617H215H3
MFCD03768778
ZINC000100140360
ZINC100140360

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Available files

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