Vitas-M small molecule compound
10-[(3,4-dichlorophenyl)carbonyl]-11-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK677477
SMILES CCN(c1ccc(cc1)C1C2=C(Nc3c(N1C(=O)c1ccc(c(c1)Cl)Cl)cccc3)CC(CC2=O)c1ccc(cc1)F)CC
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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 C36H32Cl2FN3O2 MW 628.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32Cl2FN3O2/c1-3-41(4-2)27-16-11-23(12-17-27)35-34-31(20-25(21-33(34)43)22-9-14-26(39)15-10-22)40-30-7-5-6-8-32(30)42(35)36(44)24-13-18-28(37)29(38)19-24/h5-19,25,35,40H,3-4,20-21H2,1-2H3InChIKey
PKAZIMLJGRYIMW-UHFFFAOYSA-NSynonyms
10((34dichlorophenyl)carbonyl)11(4(diethylamino)phenyl)3(4fluorophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5(34dichlorobenzoyl)6(4(diethylamino)phenyl)9(4fluorophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5N2C(=O)C6=CC(=C(C=C6)Cl)Cl
InChI=1SC36H32Cl2FN3O2c1341(42)27161123(121727)353431(2025(2133(34)43)2291426(39)151022)4030756832(30)42(35)36(44)24131828(37)29(38)1924h519253540H342021H212H3
MFCD02238111
ZINC000100103394
ZINC000100103403
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