Vitas-M small molecule compound
3-(3-methoxyphenyl)-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
STK403322
SMILES COc1cccc(c1)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 C27H23N3O6 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O6/c1-34-17-6-4-5-15(9-17)16-10-21-26(23(31)11-16)27(29-20-8-3-2-7-19(20)28-21)18-12-24-25(36-14-35-24)13-22(18)30(32)33/h2-9,12-13,16,27-29H,10-11,14H2,1H3InChIKey
CWPDRQQHHPZCPX-UHFFFAOYSA-NSynonyms
3(3methoxyphenyl)11(6nitro13benzodioxol5yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(3methoxyphenyl)6(6nitro13benzodioxol5yl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=CC(=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5(N+)(=O)(O))OCO6)C(=O)C2
COc1cccc(c1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1(N+)(=O)(O)
InChI=1SC27H23N3O6c1341764515(917)16102126(23(31)1116)27(2920832719(20)2821)18122425(36143524)1322(18)30(32)33h291213162729H101114H21H3
MFCD03489130
ZINC000004004042
ZINC000004004045
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