Vitas-M small molecule compound
2-[(3-fluoro-4-methylphenyl)amino]-2-oxoethyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Catalog ID
STL187565
SMILES COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(c(c2)F)C)cc(c1OC)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 C21H22FNO6 MW 403.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FNO6/c1-13-5-7-15(11-16(13)22)23-19(24)12-29-20(25)8-6-14-9-17(26-2)21(28-4)18(10-14)27-3/h5-11H,12H2,1-4H3,(H,23,24)/b8-6+InChIKey
WCFTWNCAAPYISP-SOFGYWHQSA-NSynonyms
(2(3FLUORO4METHYLANILINO)2OXOETHYL)(E)3(345TRIMETHOXYPHENYL)PROP2ENOATE
2((3fluoro4methylphenyl)amino)2oxoethyl(2E)3(345trimethoxyphenyl)prop2enoate
CC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)F
COc1cc(C=CC(=O)OCC(=O)Nc2ccc(c(c2)F)C)cc(c1OC)OC
InChI=1SC21H22FNO6c1135715(1116(13)22)2319(24)122920(25)8614917(262)21(284)18(1014)273h511H12H214H3(H2324)b86+
MFCD15290282
ZINC000005779444
ZINC05779444
ZINC5779444
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