Vitas-M small molecule compound
ethyl 2-chloro-5-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoate
Catalog ID
STK279126
SMILES CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=N/N1C(=O)C2C(C1=O)C1CCC2C=C1
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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 C24H21ClN2O5 MW 452.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O5/c1-2-31-24(30)17-11-15(7-9-18(17)25)19-10-8-16(32-19)12-26-27-22(28)20-13-3-4-14(6-5-13)21(20)23(27)29/h3-4,7-14,20-21H,2,5-6H2,1H3/b26-12+InChIKey
YSGBUGGZJUTBAQ-RPPGKUMJSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=NN3C(=O)C4C5CCC(C4C3=O)C=C5)Cl
CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=NN1C(=O)C2C(C1=O)C1CCC2C=C1
ETHYL2CHLORO5(5((E)((13DIOXO133A477AHEXAHYDRO2H47ETHANOISOINDOL2YL)IMINO)METHYL)FURAN2YL)BENZOATE
InChI=1SC24H21ClN2O5c123124(30)171115(7918(17)25)1910816(3219)12262722(28)20133414(6513)21(20)23(27)29h347142021H256H21H3b2612+
MFCD02942190
ZINC000100181895
ZINC000108503576
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