Vitas-M small molecule compound
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-hydroxy-1-phenyl-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)propan-1-one
Catalog ID
STK108537
SMILES O=C(c1ccc2c(c1)OCCO2)CCN1CCc2c(C(C1)(O)c1ccccc1)cccc2
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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 C27H27NO4 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO4/c29-24(21-10-11-25-26(18-21)32-17-16-31-25)13-15-28-14-12-20-6-4-5-9-23(20)27(30,19-28)22-7-2-1-3-8-22/h1-11,18,30H,12-17,19H2InChIKey
PBWHUOGVBCGFKH-UHFFFAOYSA-NSynonyms
1(23dihydro14benzodioxin6yl)3(1hydroxy1phenyl1245tetrahydro3H3benzazepin3yl)propan1one
1(23DIHYDRO14BENZODIOXIN6YL)3(5HYDROXY5PHENYL24DIHYDRO1H3BENZAZEPIN3YL)PROPAN1ONE
1(23dihydrobenzo(b)(14)dioxin6yl)3(1hydroxy1phenyl45dihydro1Hbenzo(d)azepin3(2H)yl)propan1onehydrochloride
C1CN(CC(C2=CC=CC=C21)(C3=CC=CC=C3)O)CCC(=O)C4=CC5=C(C=C4)OCCO5
InChI=1SC27H27NO4c2924(2110112526(1821)3217163125)131528141220645923(20)27(301928)227213822h1111830H121719H2
MFCD02233995
O=C(c1ccc2c(c1)OCCO2)CCN1CCc2c(C(C1)(O)c1ccccc1)cccc2Cl
ZINC000008667622
ZINC000008667624
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