Vitas-M small molecule compound

11-(4-fluorophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK326257
SMILES Fc1ccc(cc1)C1Nc2cc(C)c(cc2NC2=C1C(=O)CC(C2)(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 C23H25FN2O MW 364.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25FN2O/c1-13-9-17-18(10-14(13)2)26-22(15-5-7-16(24)8-6-15)21-19(25-17)11-23(3,4)12-20(21)27/h5-10,22,25-26H,11-12H2,1-4H3
InChIKey
SMVSCJRUKJCNGG-UHFFFAOYSA-N
Synonyms

11(4fluorophenyl)3378tetramethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4fluorophenyl)2399tetramethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC=C(C=C4)F)C(=O)CC(C3)(C)C
InChI=1SC23H25FN2Oc11391718(1014(13)2)2622(155716(24)8615)2119(2517)1123(34)1220(21)27h510222526H1112H214H3
MFCD03146801
ZINC000000720711
ZINC000000720712

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Available files

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