Vitas-M small molecule compound
2-{[(2E)-2-cyano-3-(3-ethoxy-4-{[(4-methylphenyl)carbonyl]oxy}phenyl)prop-2-enoyl]amino}benzoic acid
Catalog ID
STK084710
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)/C=C(/C(=O)Nc1ccccc1C(=O)O)\C#N
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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 C27H22N2O6 MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6/c1-3-34-24-15-18(10-13-23(24)35-27(33)19-11-8-17(2)9-12-19)14-20(16-28)25(30)29-22-7-5-4-6-21(22)26(31)32/h4-15H,3H2,1-2H3,(H,29,30)(H,31,32)/b20-14+InChIKey
WEMSLMOXFCJHNH-XSFVSMFZSA-NSynonyms
2(((2E)2CYANO3(3ETHOXY4(((4METHYLPHENYL)CARBONYL)OXY)PHENYL)PROP2ENOYL)AMINO)BENZOICACID
2(((E)2CYANO3(3ETHOXY4((4METHYLPHENYL)OXOMETHOXY)PHENYL)1OXOPROP2ENYL)AMINO)BENZOICACID
2(((E)2CYANO3(3ETHOXY4(4METHYLBENZOYL)OXYPHENYL)PROP2ENOYL)AMINO)BENZOICACID
2(((E)2CYANO3(3ETHOXY4(4METHYLPHENYL)CARBONYLOXYPHENYL)PROP2ENOYL)AMINO)BENZOICACID
2(((E)2CYANO3(3ETHOXY4PTOLUOYLOXYPHENYL)ACRYLOYL)AMINO)BENZOICACID
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)OC(=O)C3=CC=C(C=C3)C
CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)C=C(C(=O)Nc1ccccc1C(=O)O)C#N
InChI=1SC27H22N2O6c1334241518(101323(24)3527(33)1911817(2)91219)1420(1628)25(30)2922754621(22)26(31)32h415H3H212H3(H2930)(H3132)b2014+
MFCD02374306
STK084710
ZINC000013122327
ZINC13122327
Check stock
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Check stock on Vitas-MAvailable files
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