Vitas-M small molecule compound
11-(6-bromo-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK100528
SMILES COc1c(OC)cc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1Br
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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 C29H27BrN2O6 MW 579.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN2O6/c1-34-25-10-16(11-26(35-2)29(25)36-3)15-8-21-27(22(33)9-15)28(32-20-7-5-4-6-19(20)31-21)17-12-23-24(13-18(17)30)38-14-37-23/h4-7,10-13,15,28,31-32H,8-9,14H2,1-3H3InChIKey
HKPCOORUMHTBPZ-UHFFFAOYSA-NSynonyms
11(6bromo13benzodioxol5yl)3(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(6bromo13benzodioxol5yl)9(345trimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5Br)OCO6)C(=O)C2
InChI=1SC29H27BrN2O6c134251016(1126(352)29(25)363)1582127(22(33)915)28(3220754619(20)3121)17122324(1318(17)30)38143723h47101315283132H8914H213H3
MFCD03489347
ZINC000008430225
ZINC000008430230
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