Vitas-M small molecule compound

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

Catalog ID
STL169394
SMILES O=C1CC(C)(C)CC2=C1C(c1cccc(c1)[N+](=O)[O-])N(c1c(N2)cccc1)C(=O)C(F)(F)F

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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 C23H20F3N3O4 MW 459.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F3N3O4/c1-22(2)11-16-19(18(30)12-22)20(13-6-5-7-14(10-13)29(32)33)28(21(31)23(24,25)26)17-9-4-3-8-15(17)27-16/h3-10,20,27H,11-12H2,1-2H3
InChIKey
RYFQVNSPZJOWIN-UHFFFAOYSA-N
Synonyms
312622-13-2
312622132
33dimethyl11(3nitrophenyl)10(222trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
33dimethyl11(3nitrophenyl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
99dimethyl6(3nitrophenyl)5(222trifluoroacetyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC23H20F3N3O4c122(2)111619(18(30)1222)20(1365714(1013)29(32)33)28(21(31)23(2425)26)17943815(17)2716h3102027H1112H212H3
MFCD01244041
O=C1CC(C)(C)CC2=C1C(c1cccc(c1)(N+)(=O)(O))N(c1c(N2)cccc1)C(=O)C(F)(F)F
ZINC000004647309
ZINC000009007901

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Available files

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