Vitas-M small molecule compound
(4E)-4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methylidene)-2-(3-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK620684
SMILES COc1cccc(c1)N1C(=O)/C(=C/NCCc2c[nH]c3c2cc(OC)cc3)/c2c(C1=O)cccc2
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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 C28H25N3O4 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4/c1-34-20-7-5-6-19(14-20)31-27(32)23-9-4-3-8-22(23)25(28(31)33)17-29-13-12-18-16-30-26-11-10-21(35-2)15-24(18)26/h3-11,14-17,29-30H,12-13H2,1-2H3/b25-17+InChIKey
JRKKWPPFJGVAJF-KOEQRZSOSA-NSynonyms
(4E)4(((2(5methoxy1Hindol3yl)ethyl)amino)methylidene)2(3methoxyphenyl)isoquinoline13(2H4H)dione
(4E)4((2(5methoxy1Hindol3yl)ethylamino)methylidene)2(3methoxyphenyl)isoquinoline13dione
(E)4(((2(5methoxy1Hindol3yl)ethyl)amino)methylene)2(3methoxyphenyl)isoquinoline13(2H4H)dione
COC1=CC2=C(C=C1)NC=C2CCNC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=CC(=CC=C5)OC
COc1cccc(c1)N1C(=O)C(=CNCCc2c(nH)c3c2cc(OC)cc3)c2c(C1=O)cccc2
InChI=1SC28H25N3O4c1342075619(1420)3127(32)23943822(23)25(28(31)33)1729131218163026111021(352)1524(18)26h31114172930H1213H212H3b2517+
MFCD09854234
ZINC000019820069
ZINC19820069
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