Vitas-M small molecule compound

(2Z)-7-{[benzyl(methyl)amino]methyl}-6-hydroxy-2-(2,3,4-trimethoxybenzylidene)-1-benzofuran-3(2H)-one

Catalog ID
STK992010
SMILES COc1c(ccc(c1OC)OC)/C=C/1\Oc2c(C1=O)ccc(c2CN(Cc1ccccc1)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 C27H27NO6 MW 461.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO6/c1-28(15-17-8-6-5-7-9-17)16-20-21(29)12-11-19-24(30)23(34-26(19)20)14-18-10-13-22(31-2)27(33-4)25(18)32-3/h5-14,29H,15-16H2,1-4H3/b23-14-
InChIKey
KBGZCJVGRLCYBF-UCQKPKSFSA-N
Synonyms
859132-55-1
(2Z)7((BENZYL(METHYL)AMINO)METHYL)6HYDROXY2((234TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7((benzyl(methyl)amino)methyl)6hydroxy2(234trimethoxybenzylidene)1benzofuran3(2H)one
(2Z)7((benzyl(methyl)azaniumyl)methyl)3oxo2((234trimethoxyphenyl)methylidene)1benzofuran6olate
(Z)7((benzyl(methyl)amino)methyl)6hydroxy2(234trimethoxybenzylidene)benzofuran3(2H)one
6HYDROXY7((METHYLBENZYLAMINO)METHYL)2((234TRIMETHOXYPHENYL)METHYLENE)BENZO(B)FURAN3ONE
C(NH+)(CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=C(C(=C(C=C4)OC)OC)OC)C3=O)(O)
COc1c(ccc(c1OC)OC)C=C1Oc2c(C1=O)ccc(c2CN(Cc1ccccc1)C)O
InChI=1SC27H27NO6c128(15178657917)162021(29)12111924(30)23(3426(19)20)1418101322(312)27(334)25(18)323h51429H1516H214H3b2314
ZINC20610596

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Available files

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