Vitas-M small molecule compound

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

Catalog ID
STK055022
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)F)C(=O)C(C)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 C30H29FN2O3 MW 484.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29FN2O3/c1-18(2)30(35)33-26-10-5-4-9-24(26)32-25-16-21(19-11-13-23(36-3)14-12-19)17-27(34)28(25)29(33)20-7-6-8-22(31)15-20/h4-15,18,21,29,32H,16-17H2,1-3H3
InChIKey
LRDZHUMZLFWVCR-UHFFFAOYSA-N
Synonyms

11(3fluorophenyl)3(4methoxyphenyl)10(2methylpropanoyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(3FLUOROPHENYL)3(4METHOXYPHENYL)10(2METHYLPROPANOYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(3fluorophenyl)9(4methoxyphenyl)5(2methylpropanoyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(C)C(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)OC)NC4=CC=CC=C41)C5=CC(=CC=C5)F
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)F)C(=O)C(C)C
InChI=1SC30H29FN2O3c118(2)30(35)33261054924(26)32251621(19111323(363)141219)1727(34)28(25)29(33)2076822(31)1520h41518212932H1617H213H3
MFCD03488980
STK055022
ZINC000000986546
ZINC000000986549

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Available files

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