Vitas-M small molecule compound
11-(1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403465
SMILES COc1c(OC)cc(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 C29H28N2O6 MW 500.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O6/c1-33-25-13-18(14-26(34-2)29(25)35-3)17-10-21-27(22(32)11-17)28(31-20-7-5-4-6-19(20)30-21)16-8-9-23-24(12-16)37-15-36-23/h4-9,12-14,17,28,30-31H,10-11,15H2,1-3H3InChIKey
SHMRPNGYPDKCOP-UHFFFAOYSA-NSynonyms
11(13benzodioxol5yl)3(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(13benzodioxol5yl)9(345trimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6)C(=O)C2
InChI=1SC29H28N2O6c133251318(1426(342)29(25)353)17102127(22(32)1117)28(3120754619(20)3021)16892324(1216)37153623h49121417283031H101115H213H3
MFCD03489307
ZINC000008430392
ZINC000008430400
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