Vitas-M small molecule compound
10-(trifluoroacetyl)-3,11-bis(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK143052
SMILES COc1cc(cc(c1OC)OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cc(OC)c(c(c1)OC)OC)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 C33H33F3N2O8 MW 642.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33F3N2O8/c1-41-24-13-18(14-25(42-2)30(24)45-5)17-11-21-28(23(39)12-17)29(19-15-26(43-3)31(46-6)27(16-19)44-4)38(32(40)33(34,35)36)22-10-8-7-9-20(22)37-21/h7-10,13-17,29,37H,11-12H2,1-6H3InChIKey
HTHYMTDULWXGKP-UHFFFAOYSA-NSynonyms
10(trifluoroacetyl)311bis(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5(222trifluoroacetyl)69bis(345trimethoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)C2
InChI=1SC33H33F3N2O8c141241318(1425(422)30(24)455)17112128(23(39)1217)29(191526(433)31(466)27(1619)444)38(32(40)33(3435)36)221087920(22)3721h71013172937H1112H216H3
MFCD02375486
ZINC000097949088
ZINC000097949091
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