Vitas-M small molecule compound
2-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
Catalog ID
STK729272
SMILES COc1ccc(cc1/C=N/N1C(=O)C2C(C1=O)C1C3(C2C=C1)CC3)OC
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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 C20H20N2O4 MW 352.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4/c1-25-12-3-6-15(26-2)11(9-12)10-21-22-18(23)16-13-4-5-14(17(16)19(22)24)20(13)7-8-20/h3-6,9-10,13-14,16-17H,7-8H2,1-2H3/b21-10+InChIKey
FMCNYTQYSYLTNI-UFFVCSGVSA-NSynonyms
2(((E)(25dimethoxyphenyl)methylidene)amino)3a477atetrahydro1Hspiro(2aza47methanoisoindole81cyclopropane)13(2H)dione
COC1=CC(=C(C=C1)OC)C=NN2C(=O)C3C4C=CC(C3C2=O)C45CC5
COc1ccc(cc1C=NN1C(=O)C2C(C1=O)C1C3(C2C=C1)CC3)OC
InChI=1SC20H20N2O4c125123615(262)11(912)10212218(23)16134514(17(16)19(22)24)20(13)7820h3691013141617H78H212H3b2110+
MFCD01304112
ZINC000105209514
ZINC000105209523
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