Vitas-M small molecule compound
(2E)-3-[1-(3-{[2-(5-fluoro-1H-indol-3-yl)ethyl]amino}-2-hydroxypropyl)-1H-indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
Catalog ID
STL448590
SMILES COc1ccc(cc1)C(=O)/C=C/c1cn(c2c1cccc2)CC(CNCCc1c[nH]c2c1cc(F)cc2)O
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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 C31H30FN3O3 MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30FN3O3/c1-38-26-10-6-21(7-11-26)31(37)13-8-23-19-35(30-5-3-2-4-27(23)30)20-25(36)18-33-15-14-22-17-34-29-12-9-24(32)16-28(22)29/h2-13,16-17,19,25,33-34,36H,14-15,18,20H2,1H3/b13-8+InChIKey
GBKLCYGBVNXGEY-MDWZMJQESA-NSynonyms
(2E)3(1(3((2(5fluoro1Hindol3yl)ethyl)amino)2hydroxypropyl)1Hindol3yl)1(4methoxyphenyl)prop2en1one
(E)3(1(3(2(5fluoro1Hindol3yl)ethylamino)2hydroxypropyl)indol3yl)1(4methoxyphenyl)prop2en1one
COC1=CC=C(C=C1)C(=O)C=CC2=CN(C3=CC=CC=C32)CC(CNCCC4=CNC5=C4C=C(C=C5)F)O
COc1ccc(cc1)C(=O)C=Cc1cn(c2c1cccc2)CC(CNCCc1c(nH)c2c1cc(F)cc2)O
InChI=1SC31H30FN3O3c1382610621(71126)31(37)138231935(30532427(23)30)2025(36)183315142217342912924(32)1628(22)29h21316171925333436H14151820H21H3b138+
MFCD09992513
ZINC000016957678
ZINC000016957681
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