Vitas-M small molecule compound

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

Catalog ID
STK065087
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(Nc3c(N1C(=O)C(C)C)cccc3)CC(CC2=O)(C)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 C34H37ClN2O4 MW 573.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37ClN2O4/c1-6-40-30-17-23(13-16-29(30)41-20-22-11-14-24(35)15-12-22)32-31-26(18-34(4,5)19-28(31)38)36-25-9-7-8-10-27(25)37(32)33(39)21(2)3/h7-17,21,32,36H,6,18-20H2,1-5H3
InChIKey
MRNQFVPVGAIMDO-UHFFFAOYSA-N
Synonyms

11(4((4chlorobenzyl)oxy)3ethoxyphenyl)10isobutyryl33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(4((4chlorobenzyl)oxy)3ethoxyphenyl)33dimethyl10(2methylpropanoyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4((4chlorophenyl)methoxy)3ethoxyphenyl)99dimethyl5(2methylpropanoyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)C(C)C)OCC5=CC=C(C=C5)Cl
CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(Nc3c(N1C(=O)C(C)C)cccc3)CC(CC2=O)(C)C
InChI=1SC34H37ClN2O4c1640301723(131629(30)412022111424(35)151222)323126(1834(45)1928(31)38)36259781027(25)37(32)33(39)21(2)3h717213236H61820H215H3
MFCD03194925
STK065087
ZINC000008753544
ZINC000008753554

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Available files

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