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-(thiophen-2-yl)prop-2-en-1-one
Catalog ID
STL448591
SMILES OC(Cn1cc(c2c1cccc2)/C=C/C(=O)c1cccs1)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 C28H26FN3O2S MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26FN3O2S/c29-21-8-9-25-24(14-21)19(15-31-25)11-12-30-16-22(33)18-32-17-20(23-4-1-2-5-26(23)32)7-10-27(34)28-6-3-13-35-28/h1-10,13-15,17,22,30-31,33H,11-12,16,18H2/b10-7+InChIKey
POEPJRNMVHIPAS-JXMROGBWSA-NSynonyms
(2E)3(1(3((2(5fluoro1Hindol3yl)ethyl)amino)2hydroxypropyl)1Hindol3yl)1(thiophen2yl)prop2en1one
(E)3(1(3(2(5fluoro1Hindol3yl)ethylamino)2hydroxypropyl)indol3yl)1thiophen2ylprop2en1one
C1=CC=C2C(=C1)C(=CN2CC(CNCCC3=CNC4=C3C=C(C=C4)F)O)C=CC(=O)C5=CC=CS5
InChI=1SC28H26FN3O2Sc2921892524(1421)19(153125)1112301622(33)18321720(23412526(23)32)71027(34)2863133528h11013151722303133H11121618H2b107+
MFCD09992514
OC(Cn1cc(c2c1cccc2)C=CC(=O)c1cccs1)CNCCc1c(nH)c2c1cc(F)cc2
ZINC000016957683
ZINC000016957685
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