Vitas-M small molecule compound
2-{[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
Catalog ID
STK729259
SMILES COc1cc(/C=N/N2C(=O)C3C(C2=O)C2C4(C3C=C2)CC4)ccc1OCc1ccc(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 C26H23N3O6 MW 473.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O6/c1-34-21-12-16(4-9-20(21)35-14-15-2-5-17(6-3-15)29(32)33)13-27-28-24(30)22-18-7-8-19(23(22)25(28)31)26(18)10-11-26/h2-9,12-13,18-19,22-23H,10-11,14H2,1H3/b27-13+InChIKey
JEQXBWDNOYTPNI-UVHMKAGCSA-NSynonyms
2(((E)(3methoxy4((4nitrobenzyl)oxy)phenyl)methylidene)amino)3a477atetrahydro1Hspiro(2aza47methanoisoindole81cyclopropane)13(2H)dione
COC1=C(C=CC(=C1)C=NN2C(=O)C3C4C=CC(C3C2=O)C45CC5)OCC6=CC=C(C=C6)(N+)(=O)(O)
COc1cc(C=NN2C(=O)C3C(C2=O)C2C4(C3C=C2)CC4)ccc1OCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC26H23N3O6c134211216(4920(21)3514152517(6315)29(32)33)13272824(30)22187819(23(22)25(28)31)26(18)101126h29121318192223H101114H21H3b2713+
MFCD01304121
ZINC000105209437
ZINC000105209443
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