Vitas-M small molecule compound
3-(4-tert-butylphenyl)-11-(furan-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK769276
SMILES O=C1CC(CC2=C1C(c1ccco1)N(c1c(N2)cccc1)C(=O)C(F)(F)F)c1ccc(cc1)C(C)(C)C
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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 C29H27F3N2O3 MW 508.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27F3N2O3/c1-28(2,3)19-12-10-17(11-13-19)18-15-21-25(23(35)16-18)26(24-9-6-14-37-24)34(27(36)29(30,31)32)22-8-5-4-7-20(22)33-21/h4-14,18,26,33H,15-16H2,1-3H3InChIKey
YXJBVGKGKIRLFE-UHFFFAOYSA-NSynonyms
3(4tertbutylphenyl)11(furan2yl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4tertbutylphenyl)6(furan2yl)5(222trifluoroacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC=CO5)C(=O)C2
InChI=1SC29H27F3N2O3c128(23)19121017(111319)18152125(23(35)1618)26(2496143724)34(27(36)29(3031)32)22854720(22)3321h414182633H1516H213H3
MFCD03408806
ZINC000008846682
ZINC000008846685
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