Vitas-M small molecule compound
11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK031265
SMILES CCOc1cc(cc(c1O)Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(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 C29H29BrN2O5 MW 565.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN2O5/c1-4-37-26-15-18(11-19(30)29(26)34)28-27-22(31-20-7-5-6-8-21(20)32-28)12-17(13-23(27)33)16-9-10-24(35-2)25(14-16)36-3/h5-11,14-15,17,28,31-32,34H,4,12-13H2,1-3H3InChIKey
STGHRSSSERIWNS-UHFFFAOYSA-NSynonyms
11(3bromo5ethoxy4hydroxyphenyl)3(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(34DIMETHOXYPHENYL)11(3BROMO5ETHOXY4HYDROXYPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(3bromo5ethoxy4hydroxyphenyl)9(34dimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C5N2)Br)O
CCOc1cc(cc(c1O)Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(c(c1)OC)OC
InChI=1SC29H29BrN2O5c1437261518(1119(30)29(26)34)282722(3120756821(20)3228)1217(1323(27)33)1691024(352)25(1416)363h51114151728313234H41213H213H3
MFCD01874751
STK031265
ZINC000000672575
ZINC000000672586
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.