Vitas-M small molecule compound

methyl 11-(3-bromo-4-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

Catalog ID
STK100990
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccc(c(c1)Br)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 C23H23BrN2O4 MW 471.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN2O4/c1-12-10-17-20(22(27)19(12)23(28)30-3)21(13-8-9-18(29-2)14(24)11-13)26-16-7-5-4-6-15(16)25-17/h4-9,11-12,19,21,25-26H,10H2,1-3H3
InChIKey
QXIRLBSFTVBOHY-UHFFFAOYSA-N
Synonyms

CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)Br)C(=O)C1C(=O)OC
InChI=1SC23H23BrN2O4c112101720(22(27)19(12)23(28)303)21(138918(292)14(24)1113)2616754615(16)2517h49111219212526H10H213H3
methyl11(3bromo4methoxyphenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
METHYL11(3BROMO4METHOXYPHENYL)3METHYL1OXO234TRIHYDRO5H10H11HBENZO(B)BENZO(34F)14DIAZEPINE2CARBOXYLATE
methyl6(3bromo4methoxyphenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632429
ZINC000012385035
ZINC000012385038

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Available files

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