Vitas-M small molecule compound

(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(dibutylamino)methyl]-6-hydroxy-4-methyl-1-benzofuran-3(2H)-one

Catalog ID
STL035036
SMILES CCCCN(Cc1c(O)cc(c2c1O/C(=C\c1cc3c(o1)cccc3)/C2=O)C)CCCC

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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 C27H31NO4 MW 433.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO4/c1-4-6-12-28(13-7-5-2)17-21-22(29)14-18(3)25-26(30)24(32-27(21)25)16-20-15-19-10-8-9-11-23(19)31-20/h8-11,14-16,29H,4-7,12-13,17H2,1-3H3/b24-16-
InChIKey
RCYVTNDOESHAPC-JLPGSUDCSA-N
Synonyms

(2Z)2(1benzofuran2ylmethylidene)7((dibutylamino)methyl)6hydroxy4methyl1benzofuran3(2H)one
(2Z)2(1benzofuran2ylmethylidene)7((dibutylazaniumyl)methyl)4methyl3oxo1benzofuran6olate
(E)2(benzofuran2ylmethylene)7((dibutylamino)methyl)6hydroxy4methylbenzofuran3(2H)one
2(BENZO(D)FURAN2YLMETHYLENE)7((DIBUTYLAMINO)METHYL)6HYDROXY4METHYLBENZO(B)FURAN3ONE
CCCCN(Cc1c(O)cc(c2c1OC(=Cc1cc3c(o1)cccc3)C2=O)C)CCCC
InChI=1SC27H31NO4c1461228(13752)172122(29)1418(3)2526(30)24(3227(21)25)1620151910891123(19)3120h811141629H47121317H213H3b2416
MFCD12966326
ZINC000032501340
ZINC32501340

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Available files

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