Vitas-M small molecule compound
11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-3-(4-chlorophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK677950
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)Nc2c(N1C(=O)C(F)(F)F)cccc2
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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 C36H29Cl2F3N2O4 MW 681.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29Cl2F3N2O4/c1-2-46-32-19-23(11-16-31(32)47-20-21-7-12-25(37)13-8-21)34-33-28(17-24(18-30(33)44)22-9-14-26(38)15-10-22)42-27-5-3-4-6-29(27)43(34)35(45)36(39,40)41/h3-16,19,24,34,42H,2,17-18,20H2,1H3InChIKey
GJXYXYIKCCJUQX-UHFFFAOYSA-NSynonyms
11(4((4chlorobenzyl)oxy)3ethoxyphenyl)3(4chlorophenyl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4chlorophenyl)6(4((4chlorophenyl)methoxy)3ethoxyphenyl)5(222trifluoroacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC5=CC=CC=C5N2C(=O)C(F)(F)F)OCC6=CC=C(C=C6)Cl
InChI=1SC36H29Cl2F3N2O4c1246321923(111631(32)47202171225(37)13821)343328(1724(1830(33)44)2291426(38)151022)4227534629(27)43(34)35(45)36(3940)41h31619243442H2171820H21H3
MFCD03036128
ZINC000098003658
ZINC000098003661
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