Vitas-M small molecule compound
(5Z)-5-[(1-{2-[2-(butan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-1-(4-chlorophenyl)-2-hydroxypyrimidine-4,6(1H,5H)-dione
Catalog ID
STL149987
SMILES CCC(c1ccccc1OCCn1cc(c2c1cccc2)/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)O)C
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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 C31H28ClN3O4 MW 542.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O4/c1-3-20(2)24-8-5-7-11-28(24)39-17-16-34-19-21(25-9-4-6-10-27(25)34)18-26-29(36)33-31(38)35(30(26)37)23-14-12-22(32)13-15-23/h4-15,18-20H,3,16-17H2,1-2H3,(H,33,36,38)/b26-18-InChIKey
FDCOGTJMLIRZNA-ITYLOYPMSA-NSynonyms
CCC(c1ccccc1OCCn1cc(c2c1cccc2)C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)O)C
MFCD03804608
ZINC000097970994
ZINC000097970995
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