Vitas-M small molecule compound

3-{[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]amino}-2-pentanoyl-5-phenylcyclohex-2-en-1-one

Catalog ID
STK681033
SMILES CCCCC(=O)C1=C(NCCc2c(C)[nH]c3c2cc(C)cc3)CC(CC1=O)c1ccccc1

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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 C29H34N2O2 MW 442.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O2/c1-4-5-11-27(32)29-26(17-22(18-28(29)33)21-9-7-6-8-10-21)30-15-14-23-20(3)31-25-13-12-19(2)16-24(23)25/h6-10,12-13,16,22,30-31H,4-5,11,14-15,17-18H2,1-3H3
InChIKey
WIHOITWLAPDKRG-UHFFFAOYSA-N
Synonyms
3((2(25dimethyl1Hindol3yl)ethyl)amino)2pentanoyl5phenylcyclohex2en1one
3(2(25DIMETHYL1HINDOL3YL)ETHYLAMINO)2PENTANOYL5PHENYLCYCLOHEX2EN1ONE
CCCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NCCC3=C(NC4=C3C=C(C=C4)C)C
CCCCC(=O)C1=C(NCCc2c(C)(nH)c3c2cc(C)cc3)CC(CC1=O)c1ccccc1
Registry IDs
MFCD03768041
ZINC000100138545
ZINC000100138549

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Available files

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