Vitas-M small molecule compound
2-[(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)sulfanyl]-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethanone
Catalog ID
STK636021
SMILES OC1=Nc2ccccc2CCC1SCC(=O)N1CCN(CC1)C/C=C/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 C25H29N3O2S MW 435.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O2S/c29-24(19-31-23-13-12-21-10-4-5-11-22(21)26-25(23)30)28-17-15-27(16-18-28)14-6-9-20-7-2-1-3-8-20/h1-11,23H,12-19H2,(H,26,30)/b9-6+InChIKey
ANXOIGNPEGGEMM-RMKNXTFCSA-NSynonyms
1021078-83-01021078830
2((2hydroxy45dihydro3H1benzazepin3yl)sulfanyl)1(4((2E)3phenylprop2en1yl)piperazin1yl)ethanone
3(2oxo2(4((E)3phenylprop2enyl)piperazin1yl)ethyl)sulfanyl1345tetrahydro1benzazepin2one
C1CC2=CC=CC=C2NC(=O)C1SCC(=O)N3CCN(CC3)CC=CC4=CC=CC=C4
InChI=1SC25H29N3O2Sc2924(19312313122110451122(21)2625(23)30)28171527(161828)1469207213820h11123H1219H2(H2630)b96+
MFCD18160935
OC1=Nc2ccccc2CCC1SCC(=O)N1CCN(CC1)CC=Cc1ccccc1
ZINC000020713868
ZINC000020713872
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