Vitas-M small molecule compound

(4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione

Catalog ID
STL053124
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1Cc1ccco1

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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 C25H20BrNO8 MW 542.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrNO8/c1-32-19-11-14(9-16(26)23(19)29)21-20(24(30)25(31)27(21)12-15-3-2-6-33-15)22(28)13-4-5-17-18(10-13)35-8-7-34-17/h2-6,9-11,21,28-29H,7-8,12H2,1H3/b22-20+
InChIKey
FUGHCEQJKWFYDR-LSDHQDQOSA-N
Synonyms
620565-36-8
(4E)5(3bromo4hydroxy5methoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(furan2ylmethyl)pyrrolidine23dione
620565368
COC1=C(C(=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=CO5)Br)O
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1Cc1ccco1
InChI=1SC25H20BrNO8c132191114(916(26)23(19)29)2120(24(30)25(31)27(21)12153263315)22(28)13451718(1013)35873417h26911212829H7812H21H3b2220+
MFCD05730424
ZINC000102891148
ZINC000102891151

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Available files

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