Vitas-M small molecule compound

dimethyl 2-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino}benzene-1,4-dicarboxylate

Catalog ID
STK063061
SMILES COC(=O)c1ccc(cc1NC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC)C(=O)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 C22H23NO8 MW 429.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO8/c1-27-17-10-13(11-18(28-2)20(17)29-3)6-9-19(24)23-16-12-14(21(25)30-4)7-8-15(16)22(26)31-5/h6-12H,1-5H3,(H,23,24)/b9-6+
InChIKey
XJMMIMGUMOKDBU-RMKNXTFCSA-N
Synonyms
432510-97-9
432510979
COC(=O)c1ccc(cc1NC(=O)C=Cc1cc(OC)c(c(c1)OC)OC)C(=O)OC
COC1=CC(=CC(=C1OC)OC)C=CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC
DIMETHYL2(((2E)3(345TRIMETHOXYPHENYL)PROP2ENOYL)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2(((E)3(345TRIMETHOXYPHENYL)PROP2ENOYL)AMINO)BENZENE14DICARBOXYLATE
InChI=1SC22H23NO8c127171013(1118(282)20(17)293)6919(24)23161214(21(25)304)7815(16)22(26)315h612H15H3(H2324)b96+
METHYL3((2E)3(345TRIMETHOXYPHENYL)PROP2ENOYLAMINO)4(METHOXYCARBONYL)BENZOATE
MFCD03143875
STK063061
ZINC000001149824
ZINC01149824
ZINC1149824

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Available files

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