Vitas-M small molecule compound

2-butanoyl-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one

Catalog ID
STK530498
SMILES CCCC(=O)C1=C(NCCc2ccc(c(c2)OC)OC)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 C22H31NO4 MW 373.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO4/c1-6-7-17(24)21-16(13-22(2,3)14-18(21)25)23-11-10-15-8-9-19(26-4)20(12-15)27-5/h8-9,12,23H,6-7,10-11,13-14H2,1-5H3
InChIKey
FXEOAANOWJETLU-UHFFFAOYSA-N
Synonyms

2butanoyl3((2(34dimethoxyphenyl)ethyl)amino)55dimethylcyclohex2en1one
2BUTANOYL3(2(34DIMETHOXYPHENYL)ETHYLAMINO)55DIMETHYLCYCLOHEX2EN1ONE
2butyryl3((34dimethoxyphenethyl)amino)55dimethylcyclohex2enone
2BUTYRYL3(2(34DIMETHOXYPHENYL)ETHYLAMINO)55DIMETHYLCYCLOHEX2ENONE
CCCC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=CC(=C(C=C2)OC)OC
InChI=1SC22H31NO4c16717(24)2116(1322(23)1418(21)25)231110158919(264)20(1215)275h891223H6710111314H215H3
ZINC000100319215
ZINC100319215

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Available files

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