Vitas-M small molecule compound
10-hexanoyl-11-(4-methylphenyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL169452
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)c1cccc(c1)[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 C32H33N3O4 MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O4/c1-3-4-5-13-30(37)34-28-12-7-6-11-26(28)33-27-19-24(23-9-8-10-25(18-23)35(38)39)20-29(36)31(27)32(34)22-16-14-21(2)15-17-22/h6-12,14-18,24,32-33H,3-5,13,19-20H2,1-2H3InChIKey
NLRQTCDMNVYRMV-UHFFFAOYSA-NSynonyms
10hexanoyl11(4methylphenyl)3(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5hexanoyl6(4methylphenyl)9(3nitrophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=CC=C3)(N+)(=O)(O))NC4=CC=CC=C41)C5=CC=C(C=C5)C
CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC32H33N3O4c13451330(37)342812761126(28)33271924(23981025(1823)35(38)39)2029(36)31(27)32(34)22161421(2)151722h6121418243233H35131920H212H3
MFCD01952534
ZINC000008445024
ZINC000008445028
Check stock
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Check stock on Vitas-MAvailable files
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