Vitas-M small molecule compound
3,3,7,8-tetramethyl-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK041908
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(c(c1)C)C)c1ccc(cc1)[N+](=O)[O-]
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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 C23H25N3O3 MW 391.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O3/c1-13-9-17-18(10-14(13)2)25-22(15-5-7-16(8-6-15)26(28)29)21-19(24-17)11-23(3,4)12-20(21)27/h5-10,22,24-25H,11-12H2,1-4H3InChIKey
SKLVBYAAVLSDGU-UHFFFAOYSA-NSynonyms
599149-58-32399tetramethyl6(4nitrophenyl)681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
3378tetramethyl11(4nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
599149583
CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)CC(C3)(C)C
InChI=1SC23H25N3O3c11391718(1014(13)2)2522(155716(8615)26(28)29)2119(2417)1123(34)1220(21)27h510222425H1112H214H3
MFCD03371101
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(c(c1)C)C)c1ccc(cc1)(N+)(=O)(O)
STK041908
ZINC000018324832
ZINC000018324834
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