Vitas-M small molecule compound
10-acetyl-3-(furan-2-yl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL172253
SMILES O=C1CC(CC2=C1C(c1cccc(c1)[N+](=O)[O-])N(C(=O)C)c1c(N2)cccc1)c1ccco1
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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 C25H21N3O5 MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O5/c1-15(29)27-21-9-3-2-8-19(21)26-20-13-17(23-10-5-11-33-23)14-22(30)24(20)25(27)16-6-4-7-18(12-16)28(31)32/h2-12,17,25-26H,13-14H2,1H3InChIKey
MDSSCXDGYAOCPG-UHFFFAOYSA-NSynonyms
438476-28-910acetyl3(furan2yl)11(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
438476289
5acetyl9(furan2yl)6(3nitrophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CO3)NC4=CC=CC=C41)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC25H21N3O5c115(29)2721932819(21)26201317(23105113323)1422(30)24(20)25(27)1664718(1216)28(31)32h212172526H1314H21H3
MFCD01922780
O=C1CC(CC2=C1C(c1cccc(c1)(N+)(=O)(O))N(C(=O)C)c1c(N2)cccc1)c1ccco1
ZINC000000674132
ZINC000000674139
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