Vitas-M small molecule compound
(4E)-4-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK623644
SMILES COc1ccccc1N1C(=O)/C(=C/NCCc2c[nH]c3c2cccc3)/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 C27H23N3O3 MW 437.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3/c1-33-25-13-7-6-12-24(25)30-26(31)21-10-3-2-9-20(21)22(27(30)32)17-28-15-14-18-16-29-23-11-5-4-8-19(18)23/h2-13,16-17,28-29H,14-15H2,1H3/b22-17+InChIKey
PXIVABUFGPGKPW-OQKWZONESA-NSynonyms
(4E)4(((2(1Hindol3yl)ethyl)amino)methylidene)2(2methoxyphenyl)isoquinoline13(2H4H)dione
(4E)4((2(1Hindol3yl)ethylamino)methylidene)2(2methoxyphenyl)isoquinoline13dione
(E)4(((2(1Hindol3yl)ethyl)amino)methylene)2(2methoxyphenyl)isoquinoline13(2H4H)dione
COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=CNCCC4=CNC5=CC=CC=C54)C2=O
COc1ccccc1N1C(=O)C(=CNCCc2c(nH)c3c2cccc3)c2c(C1=O)cccc2
InChI=1SC27H23N3O3c1332513761224(25)3026(31)211032920(21)22(27(30)32)17281514181629231154819(18)23h21316172829H1415H21H3b2217+
MFCD09853062
ZINC000019820053
ZINC19820053
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