Vitas-M small molecule compound

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

Catalog ID
STK547404
SMILES Cc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(c(c2)Cl)Cl)Nc2c(N1C(=O)CC(C)C)cccc2

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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 C31H30Cl2N2O2 MW 533.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30Cl2N2O2/c1-18(2)14-29(37)35-27-7-5-4-6-25(27)34-26-16-22(21-12-13-23(32)24(33)15-21)17-28(36)30(26)31(35)20-10-8-19(3)9-11-20/h4-13,15,18,22,31,34H,14,16-17H2,1-3H3
InChIKey
JXLGKJXTDIULAS-UHFFFAOYSA-N
Synonyms
488133-82-0
1(3(34DICHLOROPHENYL)1HYDROXY11(4METHYLPHENYL)(234TRIHYDRO11HBENZO(B)BENZO(12E)14DIAZEPIN10YL))3METHYLBUTAN1ONE
3(34dichlorophenyl)10(3methylbutanoyl)11(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(34dichlorophenyl)10(3methylbutanoyl)11(ptolyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
488133820
9(34dichlorophenyl)5(3methylbutanoyl)6(4methylphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)Cl)Cl)NC5=CC=CC=C5N2C(=O)CC(C)C
InChI=1SC31H30Cl2N2O2c118(2)1429(37)3527754625(27)34261622(21121323(32)24(33)1521)1728(36)30(26)31(35)2010819(3)91120h4131518223134H141617H213H3
MFCD03290035
ZINC000097951481
ZINC000097951484

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Available files

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