Vitas-M small molecule compound

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

Catalog ID
STK403510
SMILES Cc1ccc(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 C27H23BrN2O3 MW 503.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN2O3/c1-15-6-8-16(9-7-15)17-10-22-26(23(31)11-17)27(30-21-5-3-2-4-20(21)29-22)18-12-24-25(13-19(18)28)33-14-32-24/h2-9,12-13,17,27,29-30H,10-11,14H2,1H3
InChIKey
PNHIVORHQSRYNG-UHFFFAOYSA-N
Synonyms

11(6bromo13benzodioxol5yl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(6bromo13benzodioxol5yl)9(4methylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5Br)OCO6)C(=O)C2
InChI=1SC27H23BrN2O3c1156816(9715)17102226(23(31)1117)27(3021532420(21)2922)18122425(1319(18)28)33143224h29121317272930H101114H21H3
MFCD03489367
ZINC000001440044
ZINC000001440047

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Available files

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