Vitas-M small molecule compound
methyl 2-chloro-5-(5-{(E)-[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)imino]methyl}furan-2-yl)benzoate
Catalog ID
STK264365
SMILES COC(=O)c1cc(ccc1Cl)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 C24H19ClN2O5 MW 450.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN2O5/c1-31-24(30)17-8-11(2-6-18(17)25)19-7-3-12(32-19)10-26-27-22(28)20-13-4-5-14(16-9-15(13)16)21(20)23(27)29/h2-8,10,13-16,20-21H,9H2,1H3/b26-10+InChIKey
IIFVFNBDUIKLQB-NSKAYECMSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=NN3C(=O)C4C5C=CC(C4C3=O)C6C5C6)Cl
COC(=O)c1cc(ccc1Cl)c1ccc(o1)C=NN1C(=O)C2C(C1=O)C1C=CC2C2C1C2
InChI=1SC24H19ClN2O5c13124(30)17811(2618(17)25)197312(3219)10262722(28)20134514(16915(13)16)21(20)23(27)29h281013162021H9H21H3b2610+
methyl2chloro5(5((E)((13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)imino)methyl)furan2yl)benzoate
MFCD01142215
ZINC000245380703
ZINC000245380706
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