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-methylphenyl)prop-2-en-1-one
Catalog ID
STL441776
SMILES OC(Cn1cc(c2c1cccc2)/C=C/C(=O)c1ccc(cc1)C)CNCCc1c[nH]c2c1cc(F)cc2
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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 C31H30FN3O2 MW 495.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30FN3O2/c1-21-6-8-22(9-7-21)31(37)13-10-24-19-35(30-5-3-2-4-27(24)30)20-26(36)18-33-15-14-23-17-34-29-12-11-25(32)16-28(23)29/h2-13,16-17,19,26,33-34,36H,14-15,18,20H2,1H3/b13-10+InChIKey
HPSONYNAYXPGNY-JLHYYAGUSA-NSynonyms
(2E)3(1(3((2(5fluoro1Hindol3yl)ethyl)amino)2hydroxypropyl)1Hindol3yl)1(4methylphenyl)prop2en1one
(E)3(1(3(2(5fluoro1Hindol3yl)ethylamino)2hydroxypropyl)indol3yl)1(4methylphenyl)prop2en1one
CC1=CC=C(C=C1)C(=O)C=CC2=CN(C3=CC=CC=C32)CC(CNCCC4=CNC5=C4C=C(C=C5)F)O
InChI=1SC31H30FN3O2c1216822(9721)31(37)1310241935(30532427(24)30)2026(36)1833151423173429121125(32)1628(23)29h21316171926333436H14151820H21H3b1310+
MFCD09992512
OC(Cn1cc(c2c1cccc2)C=CC(=O)c1ccc(cc1)C)CNCCc1c(nH)c2c1cc(F)cc2
ZINC000016957675
ZINC000016957677
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