Vitas-M small molecule compound
4-{[(2E)-3-(3,4-diethoxyphenyl)-2-{[(2-methylphenyl)carbonyl]amino}prop-2-enoyl]amino}benzoic acid
Catalog ID
STK554072
SMILES CCOc1cc(ccc1OCC)/C=C(\C(=O)Nc1ccc(cc1)C(=O)O)/NC(=O)c1ccccc1C
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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 C28H28N2O6 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O6/c1-4-35-24-15-10-19(17-25(24)36-5-2)16-23(30-26(31)22-9-7-6-8-18(22)3)27(32)29-21-13-11-20(12-14-21)28(33)34/h6-17H,4-5H2,1-3H3,(H,29,32)(H,30,31)(H,33,34)/b23-16+InChIKey
DNMZICBYNBKNHJ-XQNSMLJCSA-NSynonyms
840470-66-8(E)4(3(34diethoxyphenyl)2(2methylbenzamido)acrylamido)benzoicacid
4(((2E)3(34diethoxyphenyl)2(((2methylphenyl)carbonyl)amino)prop2enoyl)amino)benzoicacid
4(((E)3(34DIETHOXYPHENYL)2((2METHYLBENZOYL)AMINO)PROP2ENOYL)AMINO)BENZOICACID
840470668
CCOC1=C(C=C(C=C1)C=C(C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3C)OCC
CCOc1cc(ccc1OCC)C=C(C(=O)Nc1ccc(cc1)C(=O)O)NC(=O)c1ccccc1C
InChI=1SC28H28N2O6c143524151019(1725(24)3652)1623(3026(31)22976818(22)3)27(32)2921131120(121421)28(33)34h617H45H213H3(H2932)(H3031)(H3334)b2316+
MFCD03827627
ZINC000009462111
ZINC9462111
Check stock
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Check stock on Vitas-MAvailable files
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