Vitas-M small molecule compound
3,3-dimethyl-11-[5-(4-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL169422
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccc1)c1ccc(o1)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 C25H23N3O4 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4/c1-25(2)13-19-23(20(29)14-25)24(27-18-6-4-3-5-17(18)26-19)22-12-11-21(32-22)15-7-9-16(10-8-15)28(30)31/h3-12,24,26-27H,13-14H2,1-2H3InChIKey
VJTJLCNHVVRRIN-UHFFFAOYSA-NSynonyms
312621-65-1312621651
33dimethyl11(5(4nitrophenyl)furan2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
99dimethyl6(5(4nitrophenyl)furan2yl)681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(O4)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC25H23N3O4c125(2)131923(20(29)1425)24(2718643517(18)2619)22121121(3222)157916(10815)28(30)31h312242627H1314H212H3
MFCD01417574
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccc1)c1ccc(o1)c1ccc(cc1)(N+)(=O)(O)
ZINC000009008884
ZINC000009008885
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