Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-11-[2-(benzyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK025851
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1ccccc1OCc1ccccc1)c1ccc2c(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 C33H28N2O4 MW 516.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N2O4/c36-28-17-23(22-14-15-30-31(18-22)39-20-38-30)16-27-32(28)33(35-26-12-6-5-11-25(26)34-27)24-10-4-7-13-29(24)37-19-21-8-2-1-3-9-21/h1-15,18,23,33-35H,16-17,19-20H2InChIKey
MPBMMLRCOQIGOS-UHFFFAOYSA-NSynonyms
312696-57-43(13benzodioxol5yl)11(2(benzyloxy)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
312696574
9(13benzodioxol5yl)6(2phenylmethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=CC=C4OCC5=CC=CC=C5)C6=CC7=C(C=C6)OCO7
InChI=1SC33H28N2O4c36281723(2214153031(1822)39203830)162732(28)33(352612651125(26)3427)2410471329(24)3719218213921h11518233335H16171920H2
MFCD01874780
O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1ccccc1OCc1ccccc1)c1ccc2c(c1)OCO2
STK025851
ZINC000004080465
ZINC000004080478
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