Vitas-M small molecule compound
2-{[(E)-(3-nitrophenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
Catalog ID
STL387732
SMILES O=C1N(/N=C/c2cccc(c2)[N+](=O)[O-])C(=O)C2C1C1C=CC2C21CC2
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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 C18H15N3O4 MW 337.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O4/c22-16-14-12-4-5-13(18(12)6-7-18)15(14)17(23)20(16)19-9-10-2-1-3-11(8-10)21(24)25/h1-5,8-9,12-15H,6-7H2/b19-9+InChIKey
BAOWMYTUKUMZDC-DJKKODMXSA-NSynonyms
2(((E)(3nitrophenyl)methylidene)amino)3a477atetrahydro1Hspiro(2aza47methanoisoindole81cyclopropane)13(2H)dione
C1CC12C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC18H15N3O4c221614124513(18(12)6718)15(14)17(23)20(16)1991021311(810)21(24)25h15891215H67H2b199+
MFCD01240445
O=C1N(N=Cc2cccc(c2)(N+)(=O)(O))C(=O)C2C1C1C=CC2C21CC2
ZINC000104320847
ZINC000245226545
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