Vitas-M small molecule compound
3-(4-ethoxy-3-methoxyphenyl)-11-[4-(propan-2-yl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK033450
SMILES CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)C(C)C
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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 C31H34N2O3 MW 482.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O3/c1-5-36-28-15-14-22(18-29(28)35-4)23-16-26-30(27(34)17-23)31(21-12-10-20(11-13-21)19(2)3)33-25-9-7-6-8-24(25)32-26/h6-15,18-19,23,31-33H,5,16-17H2,1-4H3InChIKey
OCQMKFXHMRZTPR-UHFFFAOYSA-NSynonyms
3(4ethoxy3methoxyphenyl)11(4(propan2yl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4ethoxy3methoxyphenyl)6(4propan2ylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)C(C)C)C(=O)C2)OC
CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)C(C)C
InChI=1SC31H34N2O3c153628151422(1829(28)354)23162630(27(34)1723)31(21121020(111321)19(2)3)3325976824(25)3226h6151819233133H51617H214H3
MFCD03489161
STK033450
ZINC000008430612
ZINC000008430616
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