Vitas-M small molecule compound

2-butanoyl-3-{[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one

Catalog ID
STK681257
SMILES CCCC(=O)C1=C(NCCc2c(C)[nH]c3c2cc(OC)cc3)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 C24H32N2O3 MW 396.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2O3/c1-6-7-21(27)23-20(13-24(3,4)14-22(23)28)25-11-10-17-15(2)26-19-9-8-16(29-5)12-18(17)19/h8-9,12,25-26H,6-7,10-11,13-14H2,1-5H3
InChIKey
RHQDPLCDKHXGQE-UHFFFAOYSA-N
Synonyms
2butanoyl3((2(5methoxy2methyl1Hindol3yl)ethyl)amino)55dimethylcyclohex2en1one
2BUTANOYL3(2(5METHOXY2METHYL1HINDOL3YL)ETHYLAMINO)55DIMETHYLCYCLOHEX2EN1ONE
CCCC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=C(NC3=C2C=C(C=C3)OC)C
CCCC(=O)C1=C(NCCc2c(C)(nH)c3c2cc(OC)cc3)CC(CC1=O)(C)C
Registry IDs
MFCD03768767
ZINC000100140317
ZINC100140317

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.