Vitas-M small molecule compound
11-(6-bromo-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK028435
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1Br
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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 C27H23BrN2O4 MW 519.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN2O4/c1-32-17-8-6-15(7-9-17)16-10-22-26(23(31)11-16)27(30-21-5-3-2-4-20(21)29-22)18-12-24-25(13-19(18)28)34-14-33-24/h2-9,12-13,16,27,29-30H,10-11,14H2,1H3InChIKey
NUVKTOXRCOATKA-UHFFFAOYSA-NSynonyms
330958-02-611(6bromo13benzodioxol5yl)3(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
330958026
6(6bromo13benzodioxol5yl)9(4methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5Br)OCO6)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1Br
InChI=1SC27H23BrN2O4c132178615(7917)16102226(23(31)1116)27(3021532420(21)2922)18122425(1319(18)28)34143324h29121316272930H101114H21H3
MFCD01655312
STK028435
ZINC000000630888
ZINC000000630902
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