Vitas-M small molecule compound

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

Catalog ID
STK068514
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1ccc(c(c1)[N+](=O)[O-])Cl)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/c26-18-11-10-16(13-22(18)29(31)32)25-24-21(27-19-8-4-5-9-20(19)28-25)12-17(14-23(24)30)15-6-2-1-3-7-15/h1-11,13,17,25,27-28H,12,14H2
InChIKey
KVBFJHWUHYHGJR-UHFFFAOYSA-N
Synonyms

11(4chloro3nitrophenyl)3phenyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(4CHLORO3NITROPHENYL)3PHENYL234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(4chloro3nitrophenyl)9phenyl56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C5=CC=CC=C5
InChI=1SC25H20ClN3O3c2618111016(1322(18)29(31)32)252421(2719845920(19)2825)1217(1423(24)30)156213715h1111317252728H1214H2
MFCD01994618
O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1ccc(c(c1)(N+)(=O)(O))Cl)c1ccccc1
STK068514
ZINC000001107175
ZINC000001107178

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Available files

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