Vitas-M small molecule compound

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-phenyl-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)propan-1-one

Catalog ID
STK708774
SMILES O=C(c1ccc2c(c1)OCCO2)CCN1CCc2c(C(C1)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 C27H27NO3 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO3/c29-25(22-10-11-26-27(18-22)31-17-16-30-26)13-15-28-14-12-21-8-4-5-9-23(21)24(19-28)20-6-2-1-3-7-20/h1-11,18,24H,12-17,19H2
InChIKey
MRBRTBIIJAGDSN-UHFFFAOYSA-N
Synonyms

1(23dihydro14benzodioxin6yl)3(1phenyl1245tetrahydro3H3benzazepin3yl)propan1one
1(23dihydro14benzodioxin6yl)3(5phenyl1245tetrahydro3benzazepin3yl)propan1one
1(23dihydrobenzo(b)(14)dioxin6yl)3(1phenyl45dihydro1Hbenzo(d)azepin3(2H)yl)propan1onehydrochloride
C1CN(CC(C2=CC=CC=C21)C3=CC=CC=C3)CCC(=O)C4=CC5=C(C=C4)OCCO5
InChI=1SC27H27NO3c2925(2210112627(1822)3117163026)131528141221845923(21)24(1928)206213720h1111824H121719H2
MFCD02242634
O=C(c1ccc2c(c1)OCCO2)CCN1CCc2c(C(C1)c1ccccc1)cccc2Cl
ZINC000001293829
ZINC000001293830

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Available files

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