Vitas-M small molecule compound

11-(4-fluorophenyl)-3-(4-methylphenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK044392
SMILES CCC(=O)N1C(c2ccc(cc2)F)C2=C(Nc3c1cccc3)CC(CC2=O)c1ccc(cc1)C

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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 C29H27FN2O2 MW 454.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27FN2O2/c1-3-27(34)32-25-7-5-4-6-23(25)31-24-16-21(19-10-8-18(2)9-11-19)17-26(33)28(24)29(32)20-12-14-22(30)15-13-20/h4-15,21,29,31H,3,16-17H2,1-2H3
InChIKey
KJPJDPGDOUVKQM-UHFFFAOYSA-N
Synonyms
444145-56-6
11(4fluorophenyl)10propionyl3(ptolyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(4fluorophenyl)3(4methylphenyl)10propanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(4FLUOROPHENYL)3(4METHYLPHENYL)10PROPANOYL234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
444145566
6(4fluorophenyl)9(4methylphenyl)5propanoyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C)NC4=CC=CC=C41)C5=CC=C(C=C5)F
CCC(=O)N1C(c2ccc(cc2)F)C2=C(Nc3c1cccc3)CC(CC2=O)c1ccc(cc1)C
InChI=1SC29H27FN2O2c1327(34)3225754623(25)31241621(1910818(2)91119)1726(33)28(24)29(32)20121422(30)151320h415212931H31617H212H3
MFCD03488643
STK044392
ZINC000008968716
ZINC000017027192

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.