Vitas-M small molecule compound

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

Catalog ID
STK681219
SMILES CCCC(=O)C1=C(CCCC1=O)NCCc1c(C)[nH]c2c1cc(OC)cc2

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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 C22H28N2O3 MW 368.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O3/c1-4-6-20(25)22-19(7-5-8-21(22)26)23-12-11-16-14(2)24-18-10-9-15(27-3)13-17(16)18/h9-10,13,23-24H,4-8,11-12H2,1-3H3
InChIKey
ZSWPDWYBEXZWRU-UHFFFAOYSA-N
Synonyms

2butanoyl3((2(5methoxy2methyl1Hindol3yl)ethyl)amino)cyclohex2en1one
2BUTANOYL3((2(5METHOXY2METHYLINDOL3YL)ETHYL)AMINO)CYCLOHEX2EN1ONE
2BUTANOYL3(2(5METHOXY2METHYL1HINDOL3YL)ETHYLAMINO)CYCLOHEX2EN1ONE
2BUTYRYL3((2(5METHOXY2METHYL1HINDOL3YL)ETHYL)AMINO)CYCLOHEX2EN1ONE
CCCC(=O)C1=C(CCCC1=O)NCCc1c(C)(nH)c2c1cc(OC)cc2
CCCC(=O)C1=C(CCCC1=O)NCCC2=C(NC3=C2C=C(C=C3)OC)C
CYCLOHEX2ENONE2BUTYRYL3(2(5METHOXY2METHYL1HINDOL3YL)ETHYLAMINO)
InChI=1SC22H28N2O3c14620(25)2219(75821(22)26)2312111614(2)241810915(273)1317(16)18h910132324H481112H213H3
MFCD03768679
ZINC000001076663
ZINC1076663

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Available files

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