Vitas-M small molecule compound
methyl 11-(3-bromo-4-methylphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK405151
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccc(c(c1)Br)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 C23H23BrN2O3 MW 455.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN2O3/c1-12-8-9-14(11-15(12)24)21-20-18(25-16-6-4-5-7-17(16)26-21)10-13(2)19(22(20)27)23(28)29-3/h4-9,11,13,19,21,25-26H,10H2,1-3H3InChIKey
YKYBTHNMZGHTSP-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4)C)Br)C(=O)C1C(=O)OC
InChI=1SC23H23BrN2O3c1128914(1115(12)24)212018(2516645717(16)2621)1013(2)19(22(20)27)23(28)293h49111319212526H10H213H3
methyl11(3bromo4methylphenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(3bromo4methylphenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD05857843
ZINC000001056719
ZINC000035913028
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