Vitas-M small molecule compound
3,3-dimethyl-11-(3-nitrophenyl)-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK114225
SMILES O=C1CC(C)(C)CC2=C1C(c1cccc(c1)[N+](=O)[O-])N(c1c(N2)cccc1)C1OC(=O)c2c1cccc2
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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 C29H25N3O5 MW 495.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O5/c1-29(2)15-22-25(24(33)16-29)26(17-8-7-9-18(14-17)32(35)36)31(23-13-6-5-12-21(23)30-22)27-19-10-3-4-11-20(19)28(34)37-27/h3-14,26-27,30H,15-16H2,1-2H3InChIKey
CFQVVLBYUZEOEZ-UHFFFAOYSA-NSynonyms
3(33DIMETHYL11(3NITROPHENYL)1OXO234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN10YL)3HYDROISOBENZOFURAN1ONE
33dimethyl11(3nitrophenyl)10(3oxo13dihydro2benzofuran1yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
99dimethyl6(3nitrophenyl)5(3oxo1H2benzofuran1yl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C4C5=CC=CC=C5C(=O)O4)C6=CC(=CC=C6)(N+)(=O)(O))C(=O)C1)C
InChI=1SC29H25N3O5c129(2)152225(24(33)1629)26(1787918(1417)32(35)36)31(2313651221(23)3022)271910341120(19)28(34)3727h314262730H1516H212H3
MFCD03778833
O=C1CC(C)(C)CC2=C1C(c1cccc(c1)(N+)(=O)(O))N(c1c(N2)cccc1)C1OC(=O)c2c1cccc2
ZINC000009763826
ZINC000033364210
Check stock
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Check stock on Vitas-MAvailable files
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