Vitas-M small molecule compound
(2E)-3-{3-methoxy-4-[(phenylsulfanyl)methyl]phenyl}-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
Catalog ID
STK310162
SMILES COc1cc(/C=C/C(=O)c2ccc(cc2)N2CCCCC2)ccc1CSc1ccccc1
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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 C28H29NO2S MW 443.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO2S/c1-31-28-20-22(10-12-24(28)21-32-26-8-4-2-5-9-26)11-17-27(30)23-13-15-25(16-14-23)29-18-6-3-7-19-29/h2,4-5,8-17,20H,3,6-7,18-19,21H2,1H3/b17-11+InChIKey
MCXHJECOEGPMSD-GZTJUZNOSA-NSynonyms
832126-48-4(2E)3(3methoxy4((phenylsulfanyl)methyl)phenyl)1(4(piperidin1yl)phenyl)prop2en1one
(E)3(3methoxy4(phenylsulfanylmethyl)phenyl)1(4piperidin1ylphenyl)prop2en1one
832126484
COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)N3CCCCC3)CSC4=CC=CC=C4
COc1cc(C=CC(=O)c2ccc(cc2)N2CCCCC2)ccc1CSc1ccccc1
InChI=1SC28H29NO2Sc131282022(101224(28)2132268425926)111727(30)23131525(161423)29186371929h24581720H367181921H21H3b1711+
MFCD04135016
ZINC000013960091
ZINC13960091
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