Vitas-M small molecule compound
11-(4-nitrophenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403160
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1ccc(cc1)[N+](=O)[O-])c1cccs1
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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 C23H19N3O3S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O3S/c27-20-13-15(21-6-3-11-30-21)12-19-22(20)23(14-7-9-16(10-8-14)26(28)29)25-18-5-2-1-4-17(18)24-19/h1-11,15,23-25H,12-13H2InChIKey
QCXRPYAXPVTVNE-UHFFFAOYSA-NSynonyms
11(4nitrophenyl)3(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4nitrophenyl)9thiophen2yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CS5
InChI=1SC23H19N3O3Sc27201315(2163113021)121922(20)23(147916(10814)26(28)29)2518521417(18)2419h111152325H1213H2
MFCD03146867
O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1ccc(cc1)(N+)(=O)(O))c1cccs1
ZINC000001156131
ZINC000001156134
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