Vitas-M small molecule compound
11-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK402721
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1ccc2c(c1)OCO2)c1ccccc1Cl
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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 C26H21ClN2O3 MW 444.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O3/c27-18-6-2-1-5-17(18)16-11-21-25(22(30)12-16)26(29-20-8-4-3-7-19(20)28-21)15-9-10-23-24(13-15)32-14-31-23/h1-10,13,16,26,28-29H,11-12,14H2InChIKey
BVOIPXPHYXLSCY-UHFFFAOYSA-NSynonyms
11(13benzodioxol5yl)3(2chlorophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(13benzodioxol5yl)9(2chlorophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6Cl
InChI=1SC26H21ClN2O3c2718621517(18)16112125(22(30)1216)26(2920843719(20)2821)159102324(1315)32143123h1101316262829H111214H2
MFCD02188804
ZINC000001170838
ZINC000001170841
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