Vitas-M small molecule compound

3-[4-(diethylamino)phenyl]-11-(furan-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK392586
SMILES CCN(c1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccco1)C(=O)C(F)(F)F)CC

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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 C29H28F3N3O3 MW 523.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28F3N3O3/c1-3-34(4-2)20-13-11-18(12-14-20)19-16-22-26(24(36)17-19)27(25-10-7-15-38-25)35(28(37)29(30,31)32)23-9-6-5-8-21(23)33-22/h5-15,19,27,33H,3-4,16-17H2,1-2H3
InChIKey
XBERHAOLEBHNRL-UHFFFAOYSA-N
Synonyms

3(4(DIETHYLAMINO)PHENYL)11(2FURYL)10(222TRIFLUOROACETYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4(diethylamino)phenyl)11(furan2yl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4(diethylamino)phenyl)6(furan2yl)5(222trifluoroacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCN(CC)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC=CO5)C(=O)C2
InChI=1SC29H28F3N3O3c1334(42)20131118(121420)19162226(24(36)1719)27(25107153825)35(28(37)29(3031)32)23965821(23)3322h515192733H341617H212H3
MFCD01956209
ZINC000000681770
ZINC000000681773

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Available files

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