Vitas-M small molecule compound
11-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK011568
SMILES COc1ccc(cc1OC)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 C28H26N2O5 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5/c1-32-23-9-7-16(13-25(23)33-2)18-11-21-27(22(31)12-18)28(30-20-6-4-3-5-19(20)29-21)17-8-10-24-26(14-17)35-15-34-24/h3-10,13-14,18,28-30H,11-12,15H2,1-2H3InChIKey
AAVSBUOOBGXKPG-UHFFFAOYSA-NSynonyms
11(13benzodioxol5yl)3(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(2HBENZO(34D)13DIOXOLAN5YL)3(34DIMETHOXYPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(13benzodioxol5yl)9(34dimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6)C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc2c(c1)OCO2
InChI=1SC28H26N2O5c132239716(1325(23)332)18112127(22(31)1218)28(3020643519(20)2921)178102426(1417)35153424h3101314182830H111215H212H3
MFCD01874796
STK011568
ZINC000018275821
ZINC000018275826
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