Vitas-M small molecule compound
11-(4-chloro-3-nitrophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK058686
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(c(c1)C)C)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C23H24ClN3O3 MW 425.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN3O3/c1-12-7-16-17(8-13(12)2)26-22(14-5-6-15(24)19(9-14)27(29)30)21-18(25-16)10-23(3,4)11-20(21)28/h5-9,22,25-26H,10-11H2,1-4H3InChIKey
CCILKLKMVFVRRU-UHFFFAOYSA-NSynonyms
312597-68-511(4chloro3nitrophenyl)3378tetramethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
312597685
6(4chloro3nitrophenyl)2399tetramethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C(=O)CC(C3)(C)C
InChI=1SC23H24ClN3O3c11271617(813(12)2)2622(145615(24)19(914)27(29)30)2118(2516)1023(34)1120(21)28h59222526H1011H214H3
MFCD01655313
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(c(c1)C)C)c1ccc(c(c1)(N+)(=O)(O))Cl
STK058686
ZINC000000861011
ZINC000000861012
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