Vitas-M small molecule compound

11-(6-chloro-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
STK065995
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1Cl

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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 C28H25ClN2O5 MW 504.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN2O5/c1-33-23-8-7-15(11-24(23)34-2)16-9-21-27(22(32)10-16)28(31-20-6-4-3-5-19(20)30-21)17-12-25-26(13-18(17)29)36-14-35-25/h3-8,11-13,16,28,30-31H,9-10,14H2,1-2H3
InChIKey
YFRFNVAWEQERMG-UHFFFAOYSA-N
Synonyms

11(6chloro13benzodioxol5yl)3(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(34DIMETHOXYPHENYL)11(6CHLORO(2HBENZO(D)13DIOXOLAN5YL))234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(6chloro13benzodioxol5yl)9(34dimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5Cl)OCO6)C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1Cl
InChI=1SC28H25ClN2O5c133238715(1124(23)342)1692127(22(32)1016)28(3120643519(20)3021)17122526(1318(17)29)36143525h38111316283031H91014H212H3
MFCD02105339
STK065995
ZINC000001451727
ZINC000001451730

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Available files

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