Vitas-M small molecule compound
N'-[(1S,2S,4Z,5R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6,8-dioxabicyclo[3.2.1]oct-4-ylidene]-3,5-dinitrobenzohydrazide (non-preferred name)
Catalog ID
STK755503
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N/N=C\1/C[C@@H]([C@@H]2O[C@H]1OC2)N1C(=O)c2c(C1=O)cccc2
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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 C21H15N5O9 MW 481.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O9/c27-18(10-5-11(25(30)31)7-12(6-10)26(32)33)23-22-15-8-16(17-9-34-21(15)35-17)24-19(28)13-3-1-2-4-14(13)20(24)29/h1-7,16-17,21H,8-9H2,(H,23,27)/b22-15-/t16-,17+,21+/m0/s1InChIKey
FJURCDYCERCTFV-MFAHJXEPSA-NSynonyms
C1C(C2COC(C1=NNC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O))O2)N4C(=O)C5=CC=CC=C5C4=O
InChI=1SC21H15N5O9c2718(10511(25(30)31)712(610)26(32)33)232215816(1793421(15)3517)2419(28)13312414(13)20(24)29h17161721H89H2(H2327)b2215t1617+21+m0s1
MFCD13372086
N((1S2S4Z5R)2(13dioxo13dihydro2Hisoindol2yl)68dioxabicyclo(321)oct4ylidene)35dinitrobenzohydrazide(nonpreferredname)
N((Z)((1S2S5R)2(13dioxoisoindol2yl)68dioxabicyclo(321)octan4ylidene)amino)35dinitrobenzamide
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))NN=C1C(C@@H)((C@@H)2O(C@H)1OC2)N1C(=O)c2c(C1=O)cccc2
ZINC000015162492
ZINC102874446
Check stock
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Check stock on Vitas-MAvailable files
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