Vitas-M small molecule compound

(2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate

Catalog ID
STK923268
SMILES COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OC(=O)N(C)C)cc(c1OC)OC

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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 C21H21NO7 MW 399.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO7/c1-22(2)21(24)28-13-6-7-14-15(11-13)29-16(19(14)23)8-12-9-17(25-3)20(27-5)18(10-12)26-4/h6-11H,1-5H3/b16-8-
InChIKey
NCLCARHFJCEOBR-PXNMLYILSA-N
Synonyms
858760-54-0
((2Z)3OXO2((345TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN6YL)NNDIMETHYLCARBAMATE
(2Z)3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6yldimethylcarbamate
(Z)3oxo2(345trimethoxybenzylidene)23dihydrobenzofuran6yldimethylcarbamate
858760540
CN(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)O2
COc1cc(C=C2Oc3c(C2=O)ccc(c3)OC(=O)N(C)C)cc(c1OC)OC
InChI=1SC21H21NO7c122(2)21(24)2813671415(1113)2916(19(14)23)812917(253)20(275)18(1012)264h611H15H3b168
MFCD04143493
NNDIMETHYL(3OXO2((345TRIMETHOXYPHENYL)METHYLENE)BENZO(34B)FURAN6YLOXY)CARBOXAMIDE
ZINC000012636986
ZINC12636986

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Available files

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