Vitas-M small molecule compound
3,3-dimethyl-7-(phenylcarbonyl)-11-(pyridin-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK108714
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(cc1)C(=O)c1ccccc1)c1ccccn1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H25N3O2 MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O2/c1-27(2)15-22-24(23(31)16-27)25(20-10-6-7-13-28-20)30-19-12-11-18(14-21(19)29-22)26(32)17-8-4-3-5-9-17/h3-14,25,29-30H,15-16H2,1-2H3InChIKey
SGEKQXSFARQTLY-UHFFFAOYSA-NSynonyms
2benzoyl99dimethyl6pyridin2yl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
33dimethyl7(phenylcarbonyl)11(pyridin2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=CC=N5)C(=O)C1)C
InChI=1SC27H25N3O2c127(2)152224(23(31)1627)25(201067132820)3019121118(1421(19)2922)26(32)178435917h314252930H1516H212H3
MFCD02928500
ZINC000005101016
ZINC000005101018
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