Vitas-M small molecule compound
10-acetyl-11-(3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL169413
SMILES O=C1CC(CC2=C1C(c1cccc(c1)[N+](=O)[O-])N(C(=O)C)c1c(N2)cccc1)c1ccccc1
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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 C27H23N3O4 MW 453.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4/c1-17(31)29-24-13-6-5-12-22(24)28-23-15-20(18-8-3-2-4-9-18)16-25(32)26(23)27(29)19-10-7-11-21(14-19)30(33)34/h2-14,20,27-28H,15-16H2,1H3InChIKey
HZFCNLBMSULBAM-UHFFFAOYSA-NSynonyms
424804-13-710acetyl11(3nitrophenyl)3phenyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
424804137
5acetyl6(3nitrophenyl)9phenyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC27H23N3O4c117(31)292413651222(24)28231520(188324918)1625(32)26(23)27(29)191071121(1419)30(33)34h214202728H1516H21H3
MFCD01922812
O=C1CC(CC2=C1C(c1cccc(c1)(N+)(=O)(O))N(C(=O)C)c1c(N2)cccc1)c1ccccc1
ZINC000000654599
ZINC000000654610
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