Vitas-M small molecule compound

methyl 4-{(Z)-[7-{[bis(2-methylpropyl)amino]methyl}-6-hydroxy-3-oxo-1-benzofuran-2(3H)-ylidene]methyl}benzoate

Catalog ID
STK992673
SMILES COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2CN(CC(C)C)CC(C)C)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 C26H31NO5 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO5/c1-16(2)13-27(14-17(3)4)15-21-22(28)11-10-20-24(29)23(32-25(20)21)12-18-6-8-19(9-7-18)26(30)31-5/h6-12,16-17,28H,13-15H2,1-5H3/b23-12-
InChIKey
QABYXWPARWUAFH-FMCGGJTJSA-N
Synonyms
929398-08-3
(Z)methyl4((7((diisobutylamino)methyl)6hydroxy3oxobenzofuran2(3H)ylidene)methyl)benzoate
929398083
CC(C)CN(CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)C(=O)OC)C2=O)O)CC(C)C
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2CN(CC(C)C)CC(C)C)O
InChI=1SC26H31NO5c116(2)1327(1417(3)4)152122(28)11102024(29)23(3225(20)21)12186819(9718)26(30)315h612161728H1315H215H3b2312
methyl4((Z)(7((bis(2methylpropyl)amino)methyl)6hydroxy3oxo1benzofuran2(3H)ylidene)methyl)benzoate
methyl4((Z)(7((bis(2methylpropyl)amino)methyl)6hydroxy3oxo1benzofuran2ylidene)methyl)benzoate

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.