Vitas-M small molecule compound

11-(6-bromo-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK403324
SMILES COc1cccc(c1)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/c1-32-17-6-4-5-15(9-17)16-10-22-26(23(31)11-16)27(30-21-8-3-2-7-20(21)29-22)18-12-24-25(13-19(18)28)34-14-33-24/h2-9,12-13,16,27,29-30H,10-11,14H2,1H3
InChIKey
QYLWHHKLGKVTFH-UHFFFAOYSA-N
Synonyms

11(6bromo13benzodioxol5yl)3(3methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(6bromo13benzodioxol5yl)9(3methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=CC(=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5Br)OCO6)C(=O)C2
InChI=1SC27H23BrN2O4c1321764515(917)16102226(23(31)1116)27(3021832720(21)2922)18122425(1319(18)28)34143324h29121316272930H101114H21H3
MFCD03489133
ZINC000008430564
ZINC000008430569

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Available files

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