Vitas-M small molecule compound

3-(2-chlorophenyl)-10-(3-hydroxypropanoyl)-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK067496
SMILES OCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)c1ccccc1Cl

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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 C29H27ClN2O3 MW 487.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN2O3/c1-18-10-12-19(13-11-18)29-28-24(16-20(17-26(28)34)21-6-2-3-7-22(21)30)31-23-8-4-5-9-25(23)32(29)27(35)14-15-33/h2-13,20,29,31,33H,14-17H2,1H3
InChIKey
SKSIDSVGKRUUHZ-UHFFFAOYSA-N
Synonyms

3(2chlorophenyl)10(3hydroxypropanoyl)11(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(2chlorophenyl)5(3hydroxypropanoyl)6(4methylphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4Cl)NC5=CC=CC=C5N2C(=O)CCO
InChI=1SC29H27ClN2O3c118101219(131118)292824(1620(1726(28)34)21623722(21)30)3123845925(23)32(29)27(35)141533h21320293133H1417H21H3
MFCD01958315
OCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)c1ccccc1Cl
STK067496
ZINC000027839532
ZINC000027839558

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Available files

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