Vitas-M small molecule compound
ethyl (3-{(E)-[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)imino]methyl}-2-methyl-1H-indol-1-yl)acetate
Catalog ID
STK263913
SMILES CCOC(=O)Cn1c(C)c(c2c1cccc2)/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 C25H25N3O4 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4/c1-3-32-21(29)12-27-13(2)19(14-6-4-5-7-20(14)27)11-26-28-24(30)22-15-8-9-16(18-10-17(15)18)23(22)25(28)31/h4-9,11,15-18,22-23H,3,10,12H2,1-2H3/b26-11+InChIKey
QCCRIMXUURVUJL-KBKYJPHKSA-NSynonyms
CCOC(=O)CN1C(=C(C2=CC=CC=C21)C=NN3C(=O)C4C5C=CC(C4C3=O)C6C5C6)C
CCOC(=O)Cn1c(C)c(c2c1cccc2)C=NN1C(=O)C2C(C1=O)C1C=CC2C2C1C2
ETHYL(3((E)((13DIOXOOCTAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOL2(1H)YL)IMINO)METHYL)2METHYL1HINDOL1YL)ACETATE
InChI=1SC25H25N3O4c133221(29)122713(2)19(14645720(14)27)11262824(30)22158916(181017(15)18)23(22)25(28)31h491115182223H31012H212H3b2611+
MFCD04069316
ZINC000245226872
ZINC000245226875
Check stock
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Check stock on Vitas-MAvailable files
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