Vitas-M small molecule compound
11-(6-chloro-1,3-benzodioxol-5-yl)-3-(4-ethoxy-3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK027648
SMILES CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1Cl
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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 C29H27ClN2O5 MW 519.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN2O5/c1-3-35-24-9-8-16(12-25(24)34-2)17-10-22-28(23(33)11-17)29(32-21-7-5-4-6-20(21)31-22)18-13-26-27(14-19(18)30)37-15-36-26/h4-9,12-14,17,29,31-32H,3,10-11,15H2,1-2H3InChIKey
BKQSMAZOQTXVLE-UHFFFAOYSA-NSynonyms
11(6chloro13benzodioxol5yl)3(4ethoxy3methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(6chloro13benzodioxol5yl)9(4ethoxy3methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5Cl)OCO6)C(=O)C2)OC
CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1Cl
InChI=1SC29H27ClN2O5c1335249816(1225(24)342)17102228(23(33)1117)29(3221754620(21)3122)18132627(1419(18)30)37153626h49121417293132H3101115H212H3
MFCD03489295
STK027648
ZINC000001439882
ZINC000001439885
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