Vitas-M small molecule compound
10-acetyl-11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK677948
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(Nc3c(N1C(=O)C)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 C36H32Cl2N2O4 MW 627.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32Cl2N2O4/c1-3-43-34-20-25(12-17-33(34)44-21-23-8-13-27(37)14-9-23)36-35-30(39-29-6-4-5-7-31(29)40(36)22(2)41)18-26(19-32(35)42)24-10-15-28(38)16-11-24/h4-17,20,26,36,39H,3,18-19,21H2,1-2H3InChIKey
DIGWGDPLQSYITM-UHFFFAOYSA-NSynonyms
10acetyl11(4((4chlorobenzyl)oxy)3ethoxyphenyl)3(4chlorophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5acetyl9(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)C)OCC6=CC=C(C=C6)Cl
InChI=1SC36H32Cl2N2O4c1343342025(121733(34)44212381327(37)14923)363530(3929645731(29)40(36)22(2)41)1826(1932(35)42)24101528(38)161124h41720263639H3181921H212H3
MFCD03036126
ZINC000098003650
ZINC000098003653
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