Vitas-M small molecule compound
11-(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
STK403477
SMILES COc1cccc(c1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc2c(c1)OCO2
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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 C27H24N2O4 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O4/c1-31-19-6-4-5-16(11-19)18-12-22-26(23(30)13-18)27(29-21-8-3-2-7-20(21)28-22)17-9-10-24-25(14-17)33-15-32-24/h2-11,14,18,27-29H,12-13,15H2,1H3InChIKey
CFAAYVLWXFPNFY-UHFFFAOYSA-NSynonyms
11(13benzodioxol5yl)3(3methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(13benzodioxol5yl)9(3methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=CC(=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6)C(=O)C2
InChI=1SC27H24N2O4c1311964516(1119)18122226(23(30)1318)27(2921832720(21)2822)179102425(1417)33153224h21114182729H121315H21H3
MFCD03489324
ZINC000004075112
ZINC000004075115
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