Vitas-M small molecule compound

4-{[(2E)-3-(3,4-diethoxyphenyl)-2-{[(4-methoxyphenyl)carbonyl]amino}prop-2-enoyl]amino}benzoic acid

Catalog ID
STK554450
SMILES CCOc1cc(ccc1OCC)/C=C(\C(=O)Nc1ccc(cc1)C(=O)O)/NC(=O)c1ccc(cc1)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 C28H28N2O7 MW 504.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7/c1-4-36-24-15-6-18(17-25(24)37-5-2)16-23(30-26(31)19-9-13-22(35-3)14-10-19)27(32)29-21-11-7-20(8-12-21)28(33)34/h6-17H,4-5H2,1-3H3,(H,29,32)(H,30,31)(H,33,34)/b23-16+
InChIKey
GKTNTFHEQOGNTP-XQNSMLJCSA-N
Synonyms
840473-91-8
(E)4(3(34diethoxyphenyl)2(4methoxybenzamido)acrylamido)benzoicacid
4(((2E)3(34diethoxyphenyl)2(((4methoxyphenyl)carbonyl)amino)prop2enoyl)amino)benzoicacid
4(((E)3(34DIETHOXYPHENYL)2((4METHOXYBENZOYL)AMINO)PROP2ENOYL)AMINO)BENZOICACID
840473918
CCOC1=C(C=C(C=C1)C=C(C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)OC)OCC
CCOc1cc(ccc1OCC)C=C(C(=O)Nc1ccc(cc1)C(=O)O)NC(=O)c1ccc(cc1)OC
InChI=1SC28H28N2O7c14362415618(1725(24)3752)1623(3026(31)1991322(353)141019)27(32)292111720(81221)28(33)34h617H45H213H3(H2932)(H3031)(H3334)b2316+
MFCD03827628
ZINC000008766838
ZINC8766838

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Available files

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