Vitas-M small molecule compound

11-(2-chloro-5-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK096571
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1cc(ccc1Cl)[N+](=O)[O-])c1ccccc1

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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 C25H20ClN3O3 MW 445.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O3/c26-19-11-10-17(29(31)32)14-18(19)25-24-22(27-20-8-4-5-9-21(20)28-25)12-16(13-23(24)30)15-6-2-1-3-7-15/h1-11,14,16,25,27-28H,12-13H2
InChIKey
KFDGLDPNDVLWLR-UHFFFAOYSA-N
Synonyms

11(2chloro5nitrophenyl)3phenyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(2CHLORO5NITROPHENYL)3PHENYL234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(2chloro5nitrophenyl)9phenyl56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C5=CC=CC=C5
InChI=1SC25H20ClN3O3c2619111017(29(31)32)1418(19)252422(2720845921(20)2825)1216(1323(24)30)156213715h1111416252728H1213H2
MFCD01874245
O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1cc(ccc1Cl)(N+)(=O)(O))c1ccccc1
STK096571
ZINC000000709462
ZINC000000709465

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Available files

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