Vitas-M small molecule compound
3-(4-ethoxy-3-methoxyphenyl)-11-(3-hydroxy-4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK098387
SMILES CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(c(c1)O)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 C29H30N2O5 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O5/c1-4-36-26-12-9-17(16-27(26)35-3)19-13-22-28(24(33)15-19)29(18-10-11-25(34-2)23(32)14-18)31-21-8-6-5-7-20(21)30-22/h5-12,14,16,19,29-32H,4,13,15H2,1-3H3InChIKey
PVMFXSODUXWBND-UHFFFAOYSA-NSynonyms
3(4ethoxy3methoxyphenyl)11(3hydroxy4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4ethoxy3methoxyphenyl)6(3hydroxy4methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5)OC)O)C(=O)C2)OC
CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(c(c1)O)OC
InChI=1SC29H30N2O5c14362612917(1627(26)353)19132228(24(33)1519)29(18101125(342)23(32)1418)3121865720(21)3022h5121416192932H41315H213H3
MFCD03489192
STK098387
ZINC000001122895
ZINC000001122904
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