Vitas-M small molecule compound
11-(3-bromo-4,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK048528
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Br)c(c(c1)OC)OC
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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/c1-33-19-10-8-16(9-11-19)17-13-23-26(24(32)14-17)27(31-22-7-5-4-6-21(22)30-23)18-12-20(29)28(35-3)25(15-18)34-2/h4-12,15,17,27,30-31H,13-14H2,1-3H3InChIKey
YXPNQFSFFHALMC-UHFFFAOYSA-NSynonyms
11(3bromo45dimethoxyphenyl)3(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo45dimethoxyphenyl)9(4methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)Br)OC)OC)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Br)c(c(c1)OC)OC
InChI=1SC28H27BrN2O4c1331910816(91119)17132326(24(32)1417)27(3122754621(22)3023)181220(29)28(353)25(1518)342h4121517273031H1314H213H3
MFCD02068226
STK048528
ZINC000001438145
ZINC000001438148
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