Vitas-M small molecule compound

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

Catalog ID
STK082683
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccccc1[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 C27H22F3N3O5 MW 525.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22F3N3O5/c1-26(2)13-17-23(20(34)14-26)24(22-12-11-21(38-22)15-7-3-5-9-18(15)33(36)37)32(25(35)27(28,29)30)19-10-6-4-8-16(19)31-17/h3-12,24,31H,13-14H2,1-2H3
InChIKey
VHXAOBMYKVBQTF-UHFFFAOYSA-N
Synonyms

33DIMETHYL11(5(2NITROPHENYL)(2FURYL))10(222TRIFLUOROACETYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
33dimethyl11(5(2nitrophenyl)furan2yl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
99dimethyl6(5(2nitrophenyl)furan2yl)5(222trifluoroacetyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O))C(=O)C1)C
InChI=1SC27H22F3N3O5c126(2)131723(20(34)1426)24(22121121(3822)15735918(15)33(36)37)32(25(35)27(2829)30)191064816(19)3117h3122431H1314H212H3
MFCD01648027
O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccccc1(N+)(=O)(O))N(c1c(N2)cccc1)C(=O)C(F)(F)F
STK082683
ZINC000000668229
ZINC000000668232

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Available files

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