Vitas-M small molecule compound

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

Catalog ID
STK403727
SMILES COc1c(Br)cc(cc1OC)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)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 C28H27BrN2O3 MW 519.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN2O3/c1-16-8-10-17(11-9-16)18-13-23-26(24(32)14-18)27(31-22-7-5-4-6-21(22)30-23)19-12-20(29)28(34-3)25(15-19)33-2/h4-12,15,18,27,30-31H,13-14H2,1-3H3
InChIKey
UAEXONXZJISCCR-UHFFFAOYSA-N
Synonyms

11(3bromo45dimethoxyphenyl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo45dimethoxyphenyl)9(4methylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)Br)OC)OC)C(=O)C2
InChI=1SC28H27BrN2O3c11681017(11916)18132326(24(32)1418)27(3122754621(22)3023)191220(29)28(343)25(1519)332h4121518273031H1314H213H3
MFCD03632448
ZINC000000729426
ZINC000000729430

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Available files

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