Vitas-M small molecule compound
11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403333
SMILES COc1cc(cc(c1O)Cl)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C
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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 C27H25ClN2O3 MW 460.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O3/c1-15-7-9-16(10-8-15)17-12-22-25(23(31)13-17)26(30-21-6-4-3-5-20(21)29-22)18-11-19(28)27(32)24(14-18)33-2/h3-11,14,17,26,29-30,32H,12-13H2,1-2H3InChIKey
QEZNAQIFPZSAKI-UHFFFAOYSA-NSynonyms
524000-26-811(3chloro4hydroxy5methoxyphenyl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
524000268
6(3chloro4hydroxy5methoxyphenyl)9(4methylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)Cl)O)OC)C(=O)C2
InChI=1SC27H25ClN2O3c1157916(10815)17122225(23(31)1317)26(3021643520(21)2922)181119(28)27(32)24(1418)332h311141726293032H1213H212H3
MFCD03489143
ZINC000001434718
ZINC000001434721
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