Vitas-M small molecule compound

11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK548430
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C

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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 C35H33ClN2O3 MW 565.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33ClN2O3/c1-3-40-33-20-25(14-17-32(33)41-21-23-10-15-27(36)16-11-23)35-34-30(37-28-6-4-5-7-29(28)38-35)18-26(19-31(34)39)24-12-8-22(2)9-13-24/h4-17,20,26,35,37-38H,3,18-19,21H2,1-2H3
InChIKey
PHIHAWPJGVEINL-UHFFFAOYSA-N
Synonyms

11(4((4chlorobenzyl)oxy)3ethoxyphenyl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(4((4chlorobenzyl)oxy)3ethoxyphenyl)3(ptolyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4((4chlorophenyl)methoxy)3ethoxyphenyl)9(4methylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)C)NC5=CC=CC=C5N2)OCC6=CC=C(C=C6)Cl
InChI=1SC35H33ClN2O3c1340332025(141732(33)412123101527(36)161123)353430(3728645729(28)3835)1826(1931(34)39)2412822(2)91324h4172026353738H3181921H212H3
MFCD03288129
ZINC000053332805
ZINC000098000011

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Available files

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