Vitas-M small molecule compound
11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK010852
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1coc2c(c1=O)cc(cc2)Cl
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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 C29H23ClN2O4 MW 498.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN2O4/c1-35-19-9-6-16(7-10-19)17-12-24-27(25(33)13-17)28(32-23-5-3-2-4-22(23)31-24)21-15-36-26-11-8-18(30)14-20(26)29(21)34/h2-11,14-15,17,28,31-32H,12-13H2,1H3InChIKey
DWLJVBSLOHQBOS-UHFFFAOYSA-NSynonyms
11(6chloro4oxo4Hchromen3yl)3(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(6chloro4oxochromen3yl)9(4methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
6CHLORO3(3(4METHOXYPHENYL)1OXO(234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN11YL))CHROMEN4ONE
COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=COC6=C(C5=O)C=C(C=C6)Cl)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1coc2c(c1=O)cc(cc2)Cl
InChI=1SC29H23ClN2O4c135199616(71019)17122427(25(33)1317)28(3223532422(23)3124)2115362611818(30)1420(26)29(21)34h211141517283132H1213H21H3
MFCD01874790
STK010852
ZINC000004080654
ZINC000004080666
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