Vitas-M small molecule compound

6-{(2E)-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-oxohex-2-en-1-yl}-5,7-dimethoxy-4-methyl-2-benzofuran-1(3H)-one

Catalog ID
STL522262
SMILES COc1c(C/C=C(/CCC(=O)N2CCN(CC2)c2ccc(cc2)F)\C)c(OC)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 C28H33FN2O5 MW 496.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33FN2O5/c1-18(5-11-22-26(34-3)19(2)23-17-36-28(33)25(23)27(22)35-4)6-12-24(32)31-15-13-30(14-16-31)21-9-7-20(29)8-10-21/h5,7-10H,6,11-17H2,1-4H3/b18-5+
InChIKey
MNMZVNVHSKUKIZ-BLLMUTORSA-N
Synonyms
1630908-57-4
(E)6(6(4(4FLUOROPHENYL)PIPERAZIN1YL)3METHYL6OXOHEX2EN1YL)57DIMETHOXY4METHYLISOBENZOFURAN1(3H)ONE
1630908574
6((~(E))6(4(4fluorophenyl)piperazin1yl)3methyl6oxohex2enyl)57dimethoxy4methyl3~(H)2benzofuran1one
6((2E)6(4(4fluorophenyl)piperazin1yl)3methyl6oxohex2en1yl)57dimethoxy4methyl2benzofuran1(3H)one
91638330
COc1c(CC=C(CCC(=O)N2CCN(CC2)c2ccc(cc2)F)C)c(OC)c2c(c1C)COC2=O
InChI=1SC28H33FN2O5c118(5112226(343)19(2)23173628(33)25(23)27(22)354)61224(32)31151330(141631)219720(29)81021h5710H61117H214H3b185+
MFCD28349941
ZINC000217880817
ZINC217880817

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Available files

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