Vitas-M small molecule compound
11-(4-chlorophenyl)-3-(3-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK392587
SMILES Clc1ccc(cc1)C1C2=C(CC(CC2=O)c2cccc(c2)[N+](=O)[O-])Nc2c(N1C(=O)C(F)(F)F)cccc2
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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 C27H19ClF3N3O4 MW 541.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClF3N3O4/c28-18-10-8-15(9-11-18)25-24-21(13-17(14-23(24)35)16-4-3-5-19(12-16)34(37)38)32-20-6-1-2-7-22(20)33(25)26(36)27(29,30)31/h1-12,17,25,32H,13-14H2InChIKey
BRHZQUUPHVDNJY-UHFFFAOYSA-NSynonyms
11(4chlorophenyl)3(3nitrophenyl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4chlorophenyl)9(3nitrophenyl)5(222trifluoroacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=C(C=C4)Cl)C(=O)C(F)(F)F)C5=CC(=CC=C5)(N+)(=O)(O)
Clc1ccc(cc1)C1C2=C(CC(CC2=O)c2cccc(c2)(N+)(=O)(O))Nc2c(N1C(=O)C(F)(F)F)cccc2
InChI=1SC27H19ClF3N3O4c281810815(91118)252421(1317(1423(24)35)1643519(1216)34(37)38)3220612722(20)33(25)26(36)27(2930)31h112172532H1314H2
MFCD01955718
ZINC000000681831
ZINC000000681834
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