Vitas-M small molecule compound
11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL023668
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccc1)c1ccc(o1)c1ccc(cc1Cl)[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 C25H22ClN3O4 MW 463.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O4/c1-25(2)12-19-23(20(30)13-25)24(28-18-6-4-3-5-17(18)27-19)22-10-9-21(33-22)15-8-7-14(29(31)32)11-16(15)26/h3-11,24,27-28H,12-13H2,1-2H3InChIKey
BFFIHJNGSJKSED-UHFFFAOYSA-NSynonyms
337503-16-911(5(2chloro4nitrophenyl)furan2yl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
337503169
6(5(2chloro4nitrophenyl)furan2yl)99dimethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(O4)C5=C(C=C(C=C5)(N+)(=O)(O))Cl)C(=O)C1)C
InChI=1SC25H22ClN3O4c125(2)121923(20(30)1325)24(2818643517(18)2719)2210921(3322)158714(29(31)32)1116(15)26h311242728H1213H212H3
MFCD01920761
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccc1)c1ccc(o1)c1ccc(cc1Cl)(N+)(=O)(O)
ZINC000009236639
ZINC000009317817
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