Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-11-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK363850
SMILES COc1cc(cc(c1O)OC)C1Nc2ccccc2NC2=C1C(=O)CC(C2)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 C28H26N2O6 MW 486.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O6/c1-33-24-12-17(13-25(34-2)28(24)32)27-26-20(29-18-5-3-4-6-19(18)30-27)9-16(10-21(26)31)15-7-8-22-23(11-15)36-14-35-22/h3-8,11-13,16,27,29-30,32H,9-10,14H2,1-2H3InChIKey
RCAUWRILWVSLSD-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)11(4hydroxy35dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(13benzodioxol5yl)6(4hydroxy35dimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1O)OC)C2C3=C(CC(CC3=O)C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6N2
InChI=1SC28H26N2O6c133241217(1325(342)28(24)32)272620(2918534619(18)3027)916(1021(26)31)15782223(1115)36143522h3811131627293032H91014H212H3
MFCD01874776
ZINC000000709613
ZINC000000709616
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