Vitas-M small molecule compound
7,8-dimethoxy-3-(2-oxo-2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethyl)-1,3-dihydro-2H-3-benzazepin-2-one
Catalog ID
STL522549
SMILES COc1cc2C=CN(C(=O)Cc2cc1OC)CC(=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 C27H31N3O4 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4/c1-33-24-17-22-10-12-30(26(31)19-23(22)18-25(24)34-2)20-27(32)29-15-13-28(14-16-29)11-6-9-21-7-4-3-5-8-21/h3-10,12,17-18H,11,13-16,19-20H2,1-2H3/b9-6+InChIKey
CYMFXRSPOWPNSJ-RMKNXTFCSA-NSynonyms
1574537-34-0(E)3(2(4CINNAMYLPIPERAZIN1YL)2OXOETHYL)78DIMETHOXY1HBENZO(D)AZEPIN2(3H)ONE
1574537340
75464736
78dimethoxy3(2oxo2(4((~(E))3phenylprop2enyl)piperazin1yl)ethyl)1~(H)3benzazepin2one
78dimethoxy3(2oxo2(4((2E)3phenylprop2en1yl)piperazin1yl)ethyl)13dihydro2H3benzazepin2one
COc1cc2C=CN(C(=O)Cc2cc1OC)CC(=O)N1CCN(CC1)CC=Cc1ccccc1
InChI=1SC27H31N3O4c133241722101230(26(31)1923(22)1825(24)342)2027(32)29151328(141629)1169217435821h310121718H1113161920H212H3b96+
MFCD28052106
ZINC000095549930
ZINC95549930
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