Vitas-M small molecule compound
11-(3,4-dichlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK090797
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(c(c1)Cl)Cl)N(c1c(N2)cccc1)C1OC(=O)c2c1cccc2
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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 C29H24Cl2N2O3 MW 519.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24Cl2N2O3/c1-29(2)14-22-25(24(34)15-29)26(16-11-12-19(30)20(31)13-16)33(23-10-6-5-9-21(23)32-22)27-17-7-3-4-8-18(17)28(35)36-27/h3-13,26-27,32H,14-15H2,1-2H3InChIKey
BYSBFFZPDKSFMB-UHFFFAOYSA-NSynonyms
523991-19-711(34dichlorophenyl)33dimethyl10(3oxo13dihydro2benzofuran1yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(34dichlorophenyl)33dimethyl10(3oxo13dihydroisobenzofuran1yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
523991197
6(34dichlorophenyl)99dimethyl5(3oxo1H2benzofuran1yl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C4C5=CC=CC=C5C(=O)O4)C6=CC(=C(C=C6)Cl)Cl)C(=O)C1)C
InChI=1SC29H24Cl2N2O3c129(2)142225(24(34)1529)26(16111219(30)20(31)1316)33(231065921(23)3222)2717734818(17)28(35)3627h313262732H1415H212H3
MFCD03488813
O=C1CC(C)(C)CC2=C1C(c1ccc(c(c1)Cl)Cl)N(c1c(N2)cccc1)C1OC(=O)c2c1cccc2
STK090797
ZINC000009313168
ZINC000102736360
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.