Vitas-M small molecule compound
11-(2-chloro-5-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK018798
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccc1)c1cc(ccc1Cl)[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 C21H20ClN3O3 MW 397.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O3/c1-21(2)10-17-19(18(26)11-21)20(24-16-6-4-3-5-15(16)23-17)13-9-12(25(27)28)7-8-14(13)22/h3-9,20,23-24H,10-11H2,1-2H3InChIKey
GQPSVFYAIRVIDP-UHFFFAOYSA-NSynonyms
11(2chloro5nitrophenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(2CHLORO5NITROPHENYL)33DIMETHYL234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(2chloro5nitrophenyl)99dimethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C(=O)C1)C
InChI=1SC21H20ClN3O3c121(2)101719(18(26)1121)20(2416643515(16)2317)13912(25(27)28)7814(13)22h39202324H1011H212H3
MFCD01529852
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccc1)c1cc(ccc1Cl)(N+)(=O)(O)
STK018798
ZINC000001082094
ZINC000001082095
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