Vitas-M small molecule compound
N'-[(E)-(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-4-nitrobenzohydrazide
Catalog ID
STK692985
SMILES COc1c(/C=N/NC(=O)c2ccc(cc2)[N+](=O)[O-])c(CC2ON=C(C2)c2ccc(cc2)F)c(c2c1OCO2)OC
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H23FN4O8 MW 550.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23FN4O8/c1-36-23-20(11-19-12-22(31-40-19)15-3-7-17(28)8-4-15)21(24(37-2)26-25(23)38-14-39-26)13-29-30-27(33)16-5-9-18(10-6-16)32(34)35/h3-10,13,19H,11-12,14H2,1-2H3,(H,30,33)/b29-13+InChIKey
COYLDJZXISWRBX-VFLNYLIXSA-NSynonyms
COC1=C2C(=C(C(=C1CC3CC(=NO3)C4=CC=C(C=C4)F)C=NNC(=O)C5=CC=C(C=C5)(N+)(=O)(O))OC)OCO2
COc1c(C=NNC(=O)c2ccc(cc2)(N+)(=O)(O))c(CC2ON=C(C2)c2ccc(cc2)F)c(c2c1OCO2)OC
InChI=1SC27H23FN4O8c1362320(11191222(314019)153717(28)8415)21(24(372)2625(23)38143926)13293027(33)165918(10616)32(34)35h3101319H111214H212H3(H3033)b2913+
MFCD10039019
N((E)(6((3(4fluorophenyl)45dihydro12oxazol5yl)methyl)47dimethoxy13benzodioxol5yl)methylidene)4nitrobenzohydrazide
N((E)(6((3(4fluorophenyl)45dihydro12oxazol5yl)methyl)47dimethoxy13benzodioxol5yl)methylideneamino)4nitrobenzamide
ZINC000100238693
ZINC000100238697
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