Vitas-M small molecule compound
methyl 11-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK101677
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1cc(Br)c(c(c1)OC)O
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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 C23H23BrN2O5 MW 487.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN2O5/c1-11-8-16-19(22(28)18(11)23(29)31-3)20(26-15-7-5-4-6-14(15)25-16)12-9-13(24)21(27)17(10-12)30-2/h4-7,9-11,18,20,25-27H,8H2,1-3H3InChIKey
CFTYILRFCDYAMM-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C(=C4)Br)O)OC)C(=O)C1C(=O)OC
InChI=1SC23H23BrN2O5c11181619(22(28)18(11)23(29)313)20(2615754614(15)2516)12913(24)21(27)17(1012)302h4791118202527H8H213H3
methyl11(3bromo4hydroxy5methoxyphenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(3bromo4hydroxy5methoxyphenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632471
ZINC000001437537
ZINC000102006755
Check stock
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Check stock on Vitas-MAvailable files
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