Vitas-M small molecule compound
2-({(E)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylidene}amino)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STK263873
SMILES Fc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/N1C(=O)C2C(C1=O)C1C=CC2C2C1C2
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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 C22H16FN3O5 MW 421.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O5/c23-10-1-3-14(17(7-10)26(29)30)18-6-2-11(31-18)9-24-25-21(27)19-12-4-5-13(16-8-15(12)16)20(19)22(25)28/h1-7,9,12-13,15-16,19-20H,8H2/b24-9+InChIKey
TTXFRXHXLOPRKT-PGGKNCGUSA-NSynonyms
2(((E)(5(4FLUORO2NITROPHENYL)FURAN2YL)METHYLIDENE)AMINO)HEXAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOLE13(2H3AH)DIONE
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(O5)C6=C(C=C(C=C6)F)(N+)(=O)(O)
Fc1ccc(c(c1)(N+)(=O)(O))c1ccc(o1)C=NN1C(=O)C2C(C1=O)C1C=CC2C2C1C2
InChI=1SC22H16FN3O5c23101314(17(710)26(29)30)186211(3118)9242521(27)19124513(16815(12)16)20(19)22(25)28h179121315161920H8H2b249+
MFCD03714702
ZINC000104300691
ZINC000245226944
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