Vitas-M small molecule compound
[4-methoxy-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl](2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)methanone
Catalog ID
STK736714
SMILES COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)C(=O)N1CCCCc2c1cccc2
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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 C28H33NO2 MW 415.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO2/c1-31-26-10-9-23(27(30)29-11-5-4-7-22-6-2-3-8-25(22)29)15-24(26)28-16-19-12-20(17-28)14-21(13-19)18-28/h2-3,6,8-10,15,19-21H,4-5,7,11-14,16-18H2,1H3InChIKey
UVBJTIOINBNIBL-UHFFFAOYSA-NSynonyms
(3(1adamantyl)4methoxyphenyl)(2345tetrahydro1benzazepin1yl)methanone
(4methoxy3(tricyclo(3311~37~)dec1yl)phenyl)(2345tetrahydro1H1benzazepin1yl)methanone
COC1=C(C=C(C=C1)C(=O)N2CCCCC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5
InChI=1SC28H33NO2c1312610923(27(30)291154722623825(22)29)1524(26)2816191220(1728)1421(1319)1828h236810151921H45711141618H21H3
MFCD08142386
ZINC000006668295
ZINC06668295
ZINC6668295
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