Vitas-M small molecule compound
methyl 11-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK403733
SMILES CCOc1c(Br)cc(cc1OC)C1Nc2ccccc2NC2=C1C(=O)C(C(C2)C)C(=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 C25H27BrN2O5 MW 515.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27BrN2O5/c1-5-33-24-15(26)11-14(12-19(24)31-3)22-21-18(27-16-8-6-7-9-17(16)28-22)10-13(2)20(23(21)29)25(30)32-4/h6-9,11-13,20,22,27-28H,5,10H2,1-4H3InChIKey
CNGZIZNNVJIDBZ-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1Br)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC4=CC=CC=C4N2)OC
InChI=1SC25H27BrN2O5c15332415(26)1114(1219(24)313)222118(2716867917(16)2822)1013(2)20(23(21)29)25(30)324h69111320222728H510H214H3
methyl11(3bromo4ethoxy5methoxyphenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(3bromo4ethoxy5methoxyphenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632456
ZINC000009968657
ZINC000102560374
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