Vitas-M small molecule compound
11-(3-bromo-4,5-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403319
SMILES CCOc1ccc(cc1OC)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 C30H31BrN2O5 MW 579.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31BrN2O5/c1-5-38-25-11-10-17(15-26(25)35-2)18-13-23-28(24(34)14-18)29(33-22-9-7-6-8-21(22)32-23)19-12-20(31)30(37-4)27(16-19)36-3/h6-12,15-16,18,29,32-33H,5,13-14H2,1-4H3InChIKey
HNJGJVPYICDEEU-UHFFFAOYSA-NSynonyms
11(3bromo45dimethoxyphenyl)3(4ethoxy3methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo45dimethoxyphenyl)9(4ethoxy3methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)Br)OC)OC)C(=O)C2)OC
InChI=1SC30H31BrN2O5c153825111017(1526(25)352)18132328(24(34)1418)29(3322976821(22)3223)191220(31)30(374)27(1619)363h612151618293233H51314H214H3
MFCD03489129
ZINC000001076866
ZINC000001076874
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