Vitas-M small molecule compound
11-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK067105
SMILES CCOc1c(Br)cc(cc1OC)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1cc(OC)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 C31H33BrN2O6 MW 609.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33BrN2O6/c1-6-40-30-20(32)11-19(16-25(30)36-2)29-28-23(33-21-9-7-8-10-22(21)34-29)12-17(13-24(28)35)18-14-26(37-3)31(39-5)27(15-18)38-4/h7-11,14-17,29,33-34H,6,12-13H2,1-5H3InChIKey
AGPJBRPFKKVLEA-UHFFFAOYSA-NSynonyms
11(3bromo4ethoxy5methoxyphenyl)3(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo4ethoxy5methoxyphenyl)9(345trimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C=C(C=C1Br)C2C3=C(CC(CC3=O)C4=CC(=C(C(=C4)OC)OC)OC)NC5=CC=CC=C5N2)OC
CCOc1c(Br)cc(cc1OC)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1cc(OC)c(c(c1)OC)OC
InChI=1SC31H33BrN2O6c16403020(32)1119(1625(30)362)292823(33219781022(21)3429)1217(1324(28)35)181426(373)31(395)27(1518)384h7111417293334H61213H215H3
MFCD03489348
STK067105
ZINC000097939997
ZINC000097940000
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