Vitas-M small molecule compound
3-(4-methylphenyl)-11-(6-nitro-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403457
SMILES Cc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1[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 C27H23N3O5 MW 469.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O5/c1-15-6-8-16(9-7-15)17-10-21-26(23(31)11-17)27(29-20-5-3-2-4-19(20)28-21)18-12-24-25(35-14-34-24)13-22(18)30(32)33/h2-9,12-13,17,27-29H,10-11,14H2,1H3InChIKey
LHWOTOQRFIGKNX-UHFFFAOYSA-NSynonyms
3(4methylphenyl)11(6nitro13benzodioxol5yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4methylphenyl)6(6nitro13benzodioxol5yl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5(N+)(=O)(O))OCO6)C(=O)C2
Cc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1(N+)(=O)(O)
InChI=1SC27H23N3O5c1156816(9715)17102126(23(31)1117)27(2920532419(20)2821)18122425(35143424)1322(18)30(32)33h291213172729H101114H21H3
MFCD03489298
ZINC000004199730
ZINC000004199733
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