Vitas-M small molecule compound
11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-3-(4-chlorophenyl)-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK677949
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(Nc3c(N1C(=O)c1ccccc1)cccc3)CC(CC2=O)c1ccc(cc1)Cl
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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 C41H34Cl2N2O4 MW 689.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H34Cl2N2O4/c1-2-48-38-24-29(16-21-37(38)49-25-26-12-17-31(42)18-13-26)40-39-34(22-30(23-36(39)46)27-14-19-32(43)20-15-27)44-33-10-6-7-11-35(33)45(40)41(47)28-8-4-3-5-9-28/h3-21,24,30,40,44H,2,22-23,25H2,1H3InChIKey
BMXZJXFLGGNFJG-UHFFFAOYSA-NSynonyms
11(4((4chlorobenzyl)oxy)3ethoxyphenyl)3(4chlorophenyl)10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5benzoyl9(4chlorophenyl)6(4((4chlorophenyl)methoxy)3ethoxyphenyl)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)C6=CC=CC=C6)OCC7=CC=C(C=C7)Cl
InChI=1SC41H34Cl2N2O4c1248382429(162137(38)492526121731(42)181326)403934(2230(2336(39)46)27141932(43)201527)443310671135(33)45(40)41(47)288435928h32124304044H2222325H21H3
MFCD03036127
ZINC000098003654
ZINC000098003657
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