Vitas-M small molecule compound
11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK042300
SMILES CCOc1cc(cc(c1OC)Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)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 C29H29BrN2O4 MW 549.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN2O4/c1-4-36-26-16-19(13-21(30)29(26)35-3)28-27-24(31-22-7-5-6-8-23(22)32-28)14-18(15-25(27)33)17-9-11-20(34-2)12-10-17/h5-13,16,18,28,31-32H,4,14-15H2,1-3H3InChIKey
XOJNHXHZFIUWSJ-UHFFFAOYSA-NSynonyms
11(3bromo5ethoxy4methoxyphenyl)3(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo5ethoxy4methoxyphenyl)9(4methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2)Br)OC
CCOc1cc(cc(c1OC)Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)OC
InChI=1SC29H29BrN2O4c1436261619(1321(30)29(26)353)282724(3122756823(22)3228)1418(1525(27)33)1791120(342)121017h5131618283132H41415H213H3
MFCD02104332
STK042300
ZINC000001438098
ZINC000001438101
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