Vitas-M small molecule compound
7-hydroxy-5-methoxy-4-methyl-6-[(2E)-3-methyl-6-oxo-6-(4-phenylpiperazin-1-yl)hex-2-en-1-yl]-2-benzofuran-1(3H)-one
Catalog ID
STL476512
SMILES COc1c(C/C=C(/CCC(=O)N2CCN(CC2)c2ccccc2)\C)c(O)c2c(c1C)COC2=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 C27H32N2O5 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O5/c1-18(9-11-21-25(31)24-22(17-34-27(24)32)19(2)26(21)33-3)10-12-23(30)29-15-13-28(14-16-29)20-7-5-4-6-8-20/h4-9,31H,10-17H2,1-3H3/b18-9+InChIKey
LYYYWADLIZTFMB-GIJQJNRQSA-NSynonyms
1630908-24-5(E)7hydroxy5methoxy4methyl6(3methyl6oxo6(4phenylpiperazin1yl)hex2en1yl)isobenzofuran1(3H)one
1630908245
7hydroxy5methoxy4methyl6((2E)3methyl6oxo6(4phenylpiperazin1yl)hex2en1yl)2benzofuran1(3H)one
7hydroxy5methoxy4methyl6((E)3methyl6oxo6(4phenylpiperazin1yl)hex2enyl)3H2benzofuran1one
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)N3CCN(CC3)C4=CC=CC=C4)OC
COc1c(CC=C(CCC(=O)N2CCN(CC2)c2ccccc2)C)c(O)c2c(c1C)COC2=O
InChI=1SC27H32N2O5c118(9112125(31)2422(173427(24)32)19(2)26(21)333)101223(30)29151328(141629)207546820h4931H1017H213H3b189+
MFCD28349529
ZINC000217785609
ZINC217785609
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