Vitas-M small molecule compound

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

Catalog ID
STK315951
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)Cl)C(=O)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 C29H27ClN2O4 MW 503.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN2O4/c1-17(33)32-24-7-5-4-6-22(24)31-23-14-20(19-10-13-26(35-2)27(16-19)36-3)15-25(34)28(23)29(32)18-8-11-21(30)12-9-18/h4-13,16,20,29,31H,14-15H2,1-3H3
InChIKey
AVAHFWFFLUFJHE-UHFFFAOYSA-N
Synonyms
438533-24-5
10acetyl11(4chlorophenyl)3(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
438533245
5acetyl6(4chlorophenyl)9(34dimethoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC=C(C=C5)Cl
InChI=1SC29H27ClN2O4c117(33)3224754622(24)31231420(19101326(352)27(1619)363)1525(34)28(23)29(32)1881121(30)12918h41316202931H1415H213H3
MFCD02174999
ZINC000018172528
ZINC000018172534

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Available files

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