Vitas-M small molecule compound
2-{[(2E)-2-cyano-3-(3-methoxy-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)prop-2-enoyl]amino}benzoic acid
Catalog ID
STK008494
SMILES N#C/C(=C\c1ccc(c(c1)OC)OS(=O)(=O)c1ccc(cc1)C)/C(=O)Nc1ccccc1C(=O)O
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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 C25H20N2O7S MW 492.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O7S/c1-16-7-10-19(11-8-16)35(31,32)34-22-12-9-17(14-23(22)33-2)13-18(15-26)24(28)27-21-6-4-3-5-20(21)25(29)30/h3-14H,1-2H3,(H,27,28)(H,29,30)/b18-13+InChIKey
FNIZIRWUPHRFOC-QGOAFFKASA-NSynonyms
2(((2E)2CYANO3(3METHOXY4(((4METHYLPHENYL)SULFONYL)OXY)PHENYL)PROP2ENOYL)AMINO)BENZOICACID
2(((E)2CYANO3(3METHOXY4(4METHYLPHENYL)SULFONYLOXYPHENYL)PROP2ENOYL)AMINO)BENZOICACID
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O)OC
InChI=1SC25H20N2O7Sc11671019(11816)35(3132)342212917(1423(22)332)1318(1526)24(28)2721643520(21)25(29)30h314H12H3(H2728)(H2930)b1813+
MFCD03033879
N#CC(=Cc1ccc(c(c1)OC)OS(=O)(=O)c1ccc(cc1)C)C(=O)Nc1ccccc1C(=O)O
STK008494
ZINC000008958791
ZINC8958791
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