Vitas-M small molecule compound

1-[3-(4-tert-butylphenyl)-11-(2-chlorophenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one

Catalog ID
STL046332
SMILES CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(cc2)C(C)(C)C)C1c1ccccc1Cl

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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 C35H39ClN2O2 MW 555.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39ClN2O2/c1-5-6-7-16-32(40)38-30-15-11-10-14-28(30)37-29-21-24(23-17-19-25(20-18-23)35(2,3)4)22-31(39)33(29)34(38)26-12-8-9-13-27(26)36/h8-15,17-20,24,34,39H,5-7,16,21-22H2,1-4H3
InChIKey
VLKLAEJZMIDSMT-UHFFFAOYSA-N
Synonyms

1(3(4tertbutylphenyl)11(2chlorophenyl)1hydroxy23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)hexan1one
MFCD04082508
ZINC000102879773
ZINC000102879778

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.