Vitas-M small molecule compound
11-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403317
SMILES COc1cc(cc(c1OC)OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Br)c(c(c1)OC)O
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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 C29H29BrN2O6 MW 581.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN2O6/c1-35-23-14-17(9-18(30)28(23)34)27-26-21(31-19-7-5-6-8-20(19)32-27)10-15(11-22(26)33)16-12-24(36-2)29(38-4)25(13-16)37-3/h5-9,12-15,27,31-32,34H,10-11H2,1-4H3InChIKey
MEZHBYFCCZVRLA-UHFFFAOYSA-NSynonyms
11(3bromo4hydroxy5methoxyphenyl)3(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo4hydroxy5methoxyphenyl)9(345trimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)Br)O)OC)C(=O)C2
InChI=1SC29H29BrN2O6c135231417(918(30)28(23)34)272621(3119756820(19)3227)1015(1122(26)33)161224(362)29(384)25(1316)373h59121527313234H1011H214H3
MFCD03489128
ZINC000001434710
ZINC000001434713
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