Vitas-M small molecule compound
2-{(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
Catalog ID
STK752802
SMILES O=C(c1ccc2c(c1)OCCO2)N/N=C/c1ccccc1OC(=O)c1ccc(cc1)[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 C23H17N3O7 MW 447.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O7/c27-22(16-7-10-20-21(13-16)32-12-11-31-20)25-24-14-17-3-1-2-4-19(17)33-23(28)15-5-8-18(9-6-15)26(29)30/h1-10,13-14H,11-12H2,(H,25,27)/b24-14+InChIKey
RYTNTOXAUMKWBN-ZVHZXABRSA-NSynonyms
(2((E)(23dihydro14benzodioxine6carbonylhydrazinylidene)methyl)phenyl)4nitrobenzoate
2((1E)2(2H3HBENZO(34E)14DIOXAN6YLCARBONYLAMINO)2AZAVINYL)PHENYL4NITROBENZOATE
2((E)(2(23DIHYDRO14BENZODIOXIN6YLCARBONYL)HYDRAZINYLIDENE)METHYL)PHENYL4NITROBENZOATE
C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC23H17N3O7c2722(167102021(1316)3212113120)25241417312419(17)3323(28)155818(9615)26(29)30h1101314H1112H2(H2527)b2414+
MFCD00821582
O=C(c1ccc2c(c1)OCCO2)NN=Cc1ccccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000001435156
ZINC33338756
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