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3-(4-methoxyphenyl)-8-methyl-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK076573
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(c1cccs1)N(c1c(N2)ccc(c1)C)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 C27H23F3N2O3S MW 512.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F3N2O3S/c1-15-5-10-19-21(12-15)32(26(34)27(28,29)30)25(23-4-3-11-36-23)24-20(31-19)13-17(14-22(24)33)16-6-8-18(35-2)9-7-16/h3-12,17,25,31H,13-14H2,1-2H3
InChIKey
PURXEQFBZQESMW-UHFFFAOYSA-N
Synonyms
523992-40-7
3(4METHOXYPHENYL)8METHYL11(2THIENYL)10(222TRIFLUOROACETYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4methoxyphenyl)8methyl11(thiophen2yl)10(222trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(4methoxyphenyl)8methyl11(thiophen2yl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
523992407
9(4methoxyphenyl)3methyl6thiophen2yl5(222trifluoroacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC1=CC2=C(C=C1)NC3=C(C(N2C(=O)C(F)(F)F)C4=CC=CS4)C(=O)CC(C3)C5=CC=C(C=C5)OC
COc1ccc(cc1)C1CC2=C(C(=O)C1)C(c1cccs1)N(c1c(N2)ccc(c1)C)C(=O)C(F)(F)F
InChI=1SC27H23F3N2O3Sc1155101921(1215)32(26(34)27(2829)30)25(2343113623)2420(3119)1317(1422(24)33)166818(352)9716h312172531H1314H212H3
MFCD03488949
STK076573
ZINC000001412999
ZINC000001413002

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Available files

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