Vitas-M small molecule compound

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

Catalog ID
STK021726
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(OC)c(cc1OC)Br

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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 C28H27BrN2O4 MW 535.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN2O4/c1-33-18-10-8-16(9-11-18)17-12-23-27(24(32)13-17)28(31-22-7-5-4-6-21(22)30-23)19-14-26(35-3)20(29)15-25(19)34-2/h4-11,14-15,17,28,30-31H,12-13H2,1-3H3
InChIKey
LSMDKTCGZNSBQS-UHFFFAOYSA-N
Synonyms

11(4bromo25dimethoxyphenyl)3(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(4BROMO25DIMETHOXYPHENYL)3(4METHOXYPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(4bromo25dimethoxyphenyl)9(4methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5OC)Br)OC)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(OC)c(cc1OC)Br
InChI=1SC28H27BrN2O4c1331810816(91118)17122327(24(32)1317)28(3122754621(22)3023)191426(353)20(29)1525(19)342h411141517283031H1213H213H3
MFCD02104972
STK021726
ZINC000001448310
ZINC000001448313

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Available files

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